SCHEMBL9530110

SCHEMBL9530110

O=c1nc2ccccc2cnc1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.50
NPC1 O15118 6/20 0.48
ADORA2A P29274 1/20 0.43
C1R P00736 1/20 0.41
CCKAR P32238 1/20 0.41
CCKBR P32239 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ELANE P08246 1/20 0.40
RAB9A P51151 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7846078 0.81 KDM4E (0.50) NPC1C1RPDE10AELANERAB9A
SCHEMBL5788551 0.76 CYP1A2 (0.56) MBNL1NPC1ADORA2ARAB9AL3MBTL1
SCHEMBL30476648 0.76 CYP1A2 (0.56) MBNL1NPC1ADORA2ARAB9AL3MBTL1
SCHEMBL1651399 0.76 PDE10A (0.44) NPC1ADORA2APDE10ARAB9AL3MBTL1
SCHEMBL11389060 0.75 KDM4E (0.41) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL9187882 0.71 MEN1 (0.50) NPC1ADORA2APDE10ARAB9AL3MBTL1
SCHEMBL17363620 0.70 MBNL1 (0.61) MBNL1NPC1ADORA2AC1RRAB9A
SCHEMBL8776992 0.70 MBNL1 (0.56) MBNL1NPC1ADORA2APDE10ARAB9A
SCHEMBL29839891 0.69 MBNL1 (0.47) MBNL1NPC1ADORA2ARAB9AL3MBTL1
SCHEMBL8775659 0.69 NPC1 (0.52) MBNL1NPC1PDE10AELANERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP claimed