SCHEMBL10939620

SCHEMBL10939620

CCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n(Cc2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC11A2 P49281 1/20 0.42
MAOB P27338 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
F2RL3 Q96RI0 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SYK P43405 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL10938133 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMAPK1JMJD6
Hydrochloric Acid SCHEMBL10941122 0.91 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSLC11A2RAB9A
Hydrochloric Acid SCHEMBL10936444 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL10938104 0.89 S1PR3 (0.47) ALDH1A1KDM4EMAPTTSHRRAB9A
SCHEMBL10938253 0.78 RAB9A (0.48) ALDH1A1MAPTJMJD6F2RL3RAB9A
SCHEMBL4676096 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTSLC11A2RAB9A
SCHEMBL10940170 0.76 SMN1; SMN2 (0.47) ALDH1A1MAPTTSHRJMJD6RAB9A
SCHEMBL4676931 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTSLC11A2RAB9A
SCHEMBL10940219 0.73 EGFR (0.48) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL16827699 0.72 CREBBP (0.51) ALDH1A1KDM4EMAPTSLC11A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed