SCHEMBL6639698

SCHEMBL6639698

C[C@@H](N)Cc1ccc(-c2ccccn2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
NPC1 O15118 5/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 4/20 0.55
GLA P06280 2/20 0.55
ALOX5 P09917 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10130562 0.87 KDM4E (0.58) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL10130634 0.84 KDM4E (0.59) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL13699203 0.83 KDM4E (0.53) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL1145968 0.78 KDM4E (0.64) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL266497 0.78 KDM4E (0.64) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL3464505 0.77 CYP2A6 (0.59) ALOX5SLC6A2TAAR1MAOASLC6A4
SCHEMBL6634061 0.77 CYP2A6 (0.59) ALOX5SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL5552749 0.77 KDM4E (0.62) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL16772305 0.76 KDM4E (0.60) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL10162362 0.76 KDM4E (0.66) KDM4ENPC1MAPTRAB9AGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758897-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2004-02-25 EP disclosed
US-6392049-B1 NITRATION USING NITRIC ACID AVENTIS PHARMACEUTICALS INC. 2002-05-21 US disclosed
US-6307054-B1 HEATING A 5-CARBOXY-2,4-DIHYROXYPYRIDINE AND PHOSPHORIC ACID WHERE THE RATIO OF PHOSPHORIC ACID TO WATER IS NOT LESS THAN ABOUT 27 TO 1 WEIGHT %. AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-10-23 US disclosed
EP-1006115-A2 Imidazopyridines having antihypertensive, cardioprotective, anti-ischemic and antilipolytic properties RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-06-07 EP disclosed
EP-0909270-A4 1999-04-21 EP disclosed
EP-0909270-A1 PROCESS FOR PREPARING 2,4-DIHYDROXYPYRIDINE AND 2,4-DIHYDROXY-3-NITROPYRIDINE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-04-21 EP disclosed
EP-0758897-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1997-11-19 EP disclosed
US-5652366-A ADENOSINE AGONISTS; HYPOTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC, AND ANTILIPOLYTIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-29 US disclosed
WO-1997024327-A1 PROCESS FOR PREPARING 2,4-DIHYDROXYPYRIDINE AND 2,4-DIHYDROXY-3-NITROPYRIDINE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed
EP-0758897-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-02-26 EP disclosed
US-5561134-A ADENOSINE DERIVATIVES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
WO-1995028160-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-26 WO disclosed
US-5364862-A Adenosine derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-11-15 US disclosed