SCHEMBL9543138

SCHEMBL9543138

COc1ccc(C2CC2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.56
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
HTR2C P28335 1/20 0.49
GAA P10253 3/20 0.47
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44

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
SCHEMBL31596794 0.84 KDM1A (0.50) KDM1AMAOAMAOBHTR2CGAA
SCHEMBL2321920 0.81 KDM1A (0.56) KDM1AMAOAMAOBHTR2CGAA
SCHEMBL9544430 0.79 HTR2A (0.44) KDM1AHTR2CMEN1KMT2AKDM4E
SCHEMBL11064728 0.78 KDM1A (0.72) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL11064726 0.78 KDM1A (0.72) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL31714648 0.75 APP (0.38) MAOBMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5310780 0.75 KDM1A (0.52) KDM1AMAOAMAOBHTR2CGAA
SCHEMBL18704254 0.75 HTR2A (0.44) KDM1AMAOAMAOBHTR2CGAA
SCHEMBL3692146 0.75 KDM1A (0.62) KDM1AMAOAMAOBHTR2CKMT2A
SCHEMBL12875739 0.74 KDM1A (0.67) KDM1AMAOAMAOBHTR2CTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015100-A1 NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1993-08-05 WO disclosed