SCHEMBL9696662

SCHEMBL9696662

C=CCc1[nH]c2ccccc2c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 7/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 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
SCHEMBL27350234 0.78 PDE9A (0.50) PDE9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL28181864 0.76 CHRNB2 (0.43) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL1252201 0.75 PDE9A (0.45) PDE9AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6403130 0.75 AHR (0.50) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL5808418 0.75 MEN1 (0.42) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL29675282 0.74 KDM4E (0.42) PDE9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL2464667 0.73 PDE9A (0.49) PDE9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29635217 0.73 PDE9A (0.49) PDE9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL28740845 0.73 KDM4E (0.44) PDE9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL28235853 0.72 AHR (0.56) MEN1KMT2AALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5090405-A Polyether, siloxane, urethane block polymers BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 — — US disclosed
US-5047293-A CONSISTING OF POLYISOCYANATE, CATALYST, AND CYCLOSILOXANE BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 — — US disclosed
US-4940047-A POLYURETHANES, ORTHOPEDIC DRESSING BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 — — US disclosed
EP-0022634-A1 Acylated indole derivatives, processes for their preparation and pharmaceutical compositions and drugs comprising them TEIJIN LIMITED (JP) 1981-01-21 — — EP disclosed
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