SCHEMBL8881506

SCHEMBL8881506

CC1(C)Nc2cc(F)ccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MOGAT2 Q3SYC2 4/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AKR1B1 P15121 4/20 0.41
▸ AKR1A1 P14550 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PGR P06401 3/20 0.37
▸ TGM2 P21980 1/20 0.36
▸ MGAT2 Q10469 4/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ MGAT3 Q09327 1/20 0.35

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
SCHEMBL3594073 0.79 MGAT2 (0.37) MOGAT2CYP1A2MAPTCYP2C19KMT2A
SCHEMBL3594074 0.78 CA9 (0.40) MOGAT2MAPTKMT2ACA9PGR
SCHEMBL9076137 0.78 CHEK1 (0.44) MAPTAKR1B1CA12CA1CA2
SCHEMBL757520 0.74 PDK2 (0.52) MAPTKMT2AAKR1B1MGAT2BRD4
SCHEMBL8111364 0.74 RAD52 (0.39) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL29789747 0.74 PDK2 (0.52) MAPTKMT2AAKR1B1MGAT2BRD4
SCHEMBL755345 0.74 MEN1 (0.49) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL21624022 0.73 TGM2 (0.41) MOGAT2PGRTGM2
SCHEMBL21260538 0.72 HTR5A (0.38) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1972936 0.72 PDK2 (0.55) CYP1A2MAPTCYP2C19KMT2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668282-A 4,5-cyclicimidazo[1,5-A]quinoxalines PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 — — US disclosed
US-5574038-A 5,6-cyclicimidazo [1,5-a] Quinoxalines THE UPJOHN COMPANY (US) 1996-11-12 — — US disclosed
US-5541324-A Imidazo[1,5-A]quinoxalines THE UPJOHN COMPANY (US) 1996-07-30 — — US disclosed
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 — — EP disclosed
WO-1992022552-A1 IMIDAZO[1,5-a]QUINOXALINES THE UPJOHN COMPANY (US) 1992-12-23 — — WO disclosed
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