SCHEMBL4722388

SCHEMBL4722388

COc1ccccc1-c1cc(-c2cccnn2)nn(-c2ccccc2C#N)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.52
KDM4E B2RXH2 2/20 0.38
DRD2 P14416 3/20 0.36
CREBBP Q92793 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SQOR Q9Y6N5 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA3 P42263 1/20 0.35
PDE4D Q08499 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL6014929 0.88 KCNN4 (0.51) KCNN4KDM4EDRD2CREBBPKMT2A
SCHEMBL6014892 0.78 KCNN4 (0.40) KCNN4KDM4EDRD2CREBBPNPSR1
SCHEMBL6014925 0.75 GRIA1 (0.56) KCNN4KDM4ESQORLMNAGRIA1
SCHEMBL27735025 0.74 SQOR (0.40) KCNN4KDM4ECREBBPKMT2ASQOR
SCHEMBL6014911 0.72 GRIA1 (0.47) KDM4EGRIA1GRIA3PDE4DMAPT
SCHEMBL6014918 0.72 GRIA1 (0.47) KCNN4KDM4ESQORGRIA1GRIA3
SCHEMBL28775311 0.72 DCTPP1 (0.45) KCNN4KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL27755574 0.71 GAA (0.43) KDM4EKMT2ANPSR1SQORLMNA
SCHEMBL6014899 0.70 GRIA1 (0.49) KDM4ESQORSMN1; SMN2HSD17B10GRIA1
SCHEMBL15542327 0.69 KCNN4 (1.00) KCNN4

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP claimed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed