SCHEMBL3975404

SCHEMBL3975404

CC(=O)n1cc(C(=O)c2cc(Cl)ncn2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.45
KMT2A Q03164 4/20 0.43
EP300 Q09472 2/20 0.43
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL3972624 0.85 POLB (0.55) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL3973488 0.82 NR4A2 (0.51) KMT2APOLBALDH1A1
SCHEMBL3993831 0.82 NTRK1 (0.42) KMT2AMEN1POLB
SCHEMBL3990809 0.80 CNR2 (0.60)
SCHEMBL3995883 0.76 CNR2 (0.55) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL3981980 0.76 CNR1 (0.56) CREBBPPOLBMAPT
SCHEMBL13806412 0.76 CNR2 (0.47) ALDH1A1
SCHEMBL2260028 0.75 NPSR1 (0.41) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3990432 0.74 CNR2 (0.53)
SCHEMBL3992947 0.74 POLB (0.38) KMT2AMEN1POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed