SCHEMBL6662082

SCHEMBL6662082

O=C1c2ccccc2C(=O)N1C1(F)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
LMNA P02545 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MC4R P32245 1/20 0.37
POLB P06746 2/20 0.36
PGR P06401 1/20 0.36
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8074175 0.90 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL6659478 0.76 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL5958862 0.76 TDP1 (0.35) ALDH1A1SMN1; SMN2TSHRPKMALOX15
SCHEMBL10806351 0.74 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL11360248 0.74 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL5502763 0.74 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL28664942 0.72 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL17033019 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL21132420 0.71 CASP3 (0.38) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL11611884 0.71 ALDH1A1 (0.67) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed