SCHEMBL8537837

SCHEMBL8537837

O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
UBE2N P61088 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GNRHR P30968 1/20 0.39
CYP1B1 Q16678 1/20 0.39
XIAP P98170 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 2/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CCKBR P32239 1/20 0.37

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
SCHEMBL8537840 1.00 KDM4E (0.42) KDM4EUBE2NATMLMNAALDH1A1
SCHEMBL8538044 0.89 CCKBR (0.41) LMNACCKBR
SCHEMBL8538046 0.89 CCKBR (0.41) LMNACCKBR
SCHEMBL8536629 0.85 LMNA (0.45) KDM4EUBE2NATMLMNAALDH1A1
SCHEMBL8536635 0.85 LMNA (0.45) KDM4EUBE2NATMLMNAALDH1A1
SCHEMBL8532891 0.82 ALDH1A1 (0.51) KDM4ELMNAALDH1A1HPGDGNRHR
SCHEMBL8532893 0.82 ALDH1A1 (0.51) KDM4ELMNAALDH1A1HPGDGNRHR
SCHEMBL8535418 0.82 CCKBR (0.47) CCKBR
SCHEMBL8535416 0.82 CCKBR (0.47) CCKBR
SCHEMBL8536312 0.80 TP53 (0.40) LMNACCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed