SCHEMBL4344246

SCHEMBL4344246

O=C(Oc1[nH]c2ccccc2c1Nc1ccncc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
BUB1 O43683 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4334975 0.83 MAPT (0.45) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL4338517 0.83 BUB1 (0.41) POLBBUB1KDM4EMEN1KMT2A
SCHEMBL4347024 0.83 KDM4E (0.47) KDM4EMEN1KMT2AMAPTALOX5
SCHEMBL4337467 0.77 MCL1 (0.41) BUB1KDM4EMEN1KMT2AMAPT
SCHEMBL4339512 0.73 MAPK14 (0.36) BUB1KDM4EMEN1KMT2AMAPT
SCHEMBL4343913 0.73 KMT2A (0.43) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL4342779 0.71 MAPKAPK2 (0.37) BUB1MAPKAPK2GSK3B
SCHEMBL4346788 0.71 MMP2 (0.41) POLBBUB1KDM4EMEN1KMT2A
SCHEMBL4332758 0.71 MEN1 (0.57) POLBBUB1KDM4EMEN1KMT2A
Potassium SCHEMBL4334708 0.70 MEN1 (0.56) POLBBUB1KDM4EMEN1KMT2A

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
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP claimed