SCHEMBL5881362

SCHEMBL5881362

CONC(=O)N1N=C(c2ccc(N)c(C)c2)c2cc3c(cc2CC1C)OCO3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.68
GRIA1 P42261 1/20 0.68
BRD4 O60885 3/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41

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
SCHEMBL5881321 0.92 GRIA2 (0.81) GRIA2GRIA1BRD4MEN1KMT2A
SCHEMBL5881322 0.90 GRIA2 (0.67) GRIA2GRIA1BRD4MEN1KMT2A
SCHEMBL5881315 0.88 GRIA2 (0.62) GRIA2GRIA1BRD4MEN1KMT2A
SCHEMBL4170430 0.88 GRIA2 (0.66) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4170440 0.88 GRIA2 (0.66) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4163394 0.88 GRIA2 (0.66) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4168322 0.85 GRIA2 (0.62) GRIA2GRIA1BRD4MEN1KMT2A
SCHEMBL4168319 0.85 GRIA2 (0.62) GRIA2GRIA1BRD4MEN1KMT2A
SCHEMBL4177208 0.85 GRIA2 (0.62) GRIA2GRIA1BRD4MEN1KMT2A
SCHEMBL4156600 0.81 GRIA2 (0.67) GRIA2GRIA1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053082-B1 2,3-benzodiazepine derivatives EGIS GYOGYSZERGYAR RT. (HU) 2006-05-30 US claimed
EP-1200442-B8 2,3-BENZODIAZEPINE DERIVATIVES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-08-20 EP claimed
EP-1200442-B1 2,3-BENZODIAZEPINE DERIVATIVES EGIS GY GYSZERGY R RT (HU) 2003-06-25 EP claimed
EP-1200442-A1 2,3-BENZODIAZEPINE DERIVATIVES Egis Gyogyszergyar Rt. (HU) 2002-05-02 EP claimed
WO-2001004122-A2 NEW 2,3-BENZODIAZEPINE DERIVATIVES EGIS Gyógyszergyár Rt. (HU) 2001-01-18 WO claimed
US-7053082-B1 2,3-benzodiazepine derivatives EGIS GYOGYSZERGYAR RT. (HU) 2006-05-30 US disclosed
EP-1200442-B8 2,3-BENZODIAZEPINE DERIVATIVES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-08-20 EP disclosed
EP-1200442-B1 2,3-BENZODIAZEPINE DERIVATIVES EGIS GY GYSZERGY R RT (HU) 2003-06-25 EP disclosed
EP-1200442-A1 2,3-BENZODIAZEPINE DERIVATIVES Egis Gyogyszergyar Rt. (HU) 2002-05-02 EP disclosed
WO-2001004122-A2 NEW 2,3-BENZODIAZEPINE DERIVATIVES EGIS Gyógyszergyár Rt. (HU) 2001-01-18 WO disclosed