SCHEMBL9538207

SCHEMBL9538207

O=C(NC1CCCCC1)c1ccc(CCl)o1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
POLB P06746 2/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 1/20 0.60
GAA P10253 1/20 0.60
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ATM Q13315 1/20 0.58

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
SCHEMBL506708 0.77 NPC1 (0.64) LMNAHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL20266307 0.77 ALDH1A1 (1.00) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL7798331 0.77 HPGD (1.00) ALDH1A1HPGDSMN1; SMN2TSHRCYP1A2
SCHEMBL28502347 0.75 KDM4E (0.62) LMNAHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL12443351 0.75 KMT2A (0.68) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL3456761 0.74 ALDH1A1 (0.66) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL8063553 0.73 ALDH1A1 (0.62) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL14698469 0.73 HTT (0.49) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL8062369 0.72 ALDH1A1 (0.61) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL6432446 0.72 MITF (0.68) ALDH1A1LMNAHPGDSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417745-B1 Heteroaryl substituted imidazo [4,5-c] pyridines SEARLE & CO (US) 1993-11-03 EP disclosed
EP-0417745-A2 Heteroaryl substituted imidazo [4,5-c] pyridines G.D. Searle & Co. (US) 1991-03-20 EP disclosed
US-4990518-A Platelet activating factor G. D. SEARLE & CO. (US) 1991-02-05 US disclosed