SCHEMBL8692020

SCHEMBL8692020

CCn1cc(C(=O)O)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.50
CNR2 P34972 13/20 0.50
MEN1 O00255 1/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.49
KDM4E B2RXH2 2/20 0.49
PRKCB P05771 1/20 0.47
GSK3B P49841 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
DYRK1A Q13627 1/20 0.47
KDM6B O15054 1/20 0.45
KDM6A O15550 1/20 0.45
TET3 O43151 1/20 0.45
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45

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
SCHEMBL9685522 0.90 LMNA (0.64) CNR1CNR2MEN1ABCC4LMNA
SCHEMBL2546290 0.89 CNR1 (0.51) CNR1CNR2ATMPRKCBGSK3B
SCHEMBL8513279 0.87 CNR1 (0.51) CNR1CNR2ATMKDM4EPRKCB
SCHEMBL27787562 0.87 CNR1 (0.49) CNR1CNR2MEN1KMT2AATM
SCHEMBL9171932 0.86 CNR2 (0.64) CNR1CNR2KDM4E
SCHEMBL28072744 0.85 CNR2 (0.69) CNR1CNR2
SCHEMBL19675321 0.84 HTR3A (0.48) CNR1CNR2ATMKDM4E
SCHEMBL28146834 0.84 KDM4E (0.48) CNR1CNR2ATMKDM4EKDM6B
SCHEMBL15897857 0.83 CNR1 (0.48) CNR1CNR2ATMKDM4EKDM6B
SCHEMBL13204148 0.82 CNR1 (0.48) CNR1CNR2ATMPRKCBGSK3B

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
WO-2012114252-A1 NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed
EP-0712408-B1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE SPA (IT) 1998-10-28 EP disclosed
US-5750536-A ANTI-ASTHMATICS, TREATMENT OF PAIN SENSITIVITY DOMPE ' SPA (IT) 1998-05-12 US disclosed