SCHEMBL8538018

SCHEMBL8538018

NC1N=C(c2ccccc2F)c2ccccc2N(Cc2ccccn2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42

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
SCHEMBL8538022 1.00 MEN1 (0.48) MEN1ALDH1A1PKMKMT2ALMNA
SCHEMBL8534662 0.86 CCKBR (0.42) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8534655 0.86 CCKBR (0.42) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8536814 0.86 CCKBR (0.44) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8536809 0.86 CCKBR (0.44) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL7543596 0.85 ALDH1A1 (0.44) MEN1ALDH1A1PKMKMT2ALMNA
SCHEMBL7543604 0.85 ALDH1A1 (0.44) MEN1ALDH1A1PKMKMT2ALMNA
SCHEMBL8538016 0.84 CCKBR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8538017 0.84 CCKBR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8535348 0.84 TP53 (0.42) LMNAGABRPGABRDGABRA1GABRB1

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