SCHEMBL30596295

SCHEMBL30596295

C(=C/c1cnc(/C=C/c2cccnc2)cn1)\c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP11B1 P15538 1/20 0.67
CYP11B2 P19099 1/20 0.67
GRM4 Q14833 1/20 0.62
GRM5 P41594 1/20 0.56
KDM4E B2RXH2 1/20 0.53
JUN P05412 1/20 0.53
MAPT P10636 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
ALOX5 P09917 3/20 0.51
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
ALDH1A1 P00352 1/20 0.50
VCP P55072 1/20 0.50
CYP2A6 P11509 1/20 0.49

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
SCHEMBL29691623 0.87 CYP11B1 (0.86) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL29691639 0.87 CYP11B1 (0.86) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL29691532 0.84 CYP11B1 (0.82) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL29691514 0.84 CYP11B1 (0.82) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL29691548 0.84 CYP11B1 (0.82) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL29691464 0.84 CYP11B1 (0.82) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL29663567 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL708983 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL708982 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL2865108 0.83 CYP11B1 (0.60) NPC1RAB9AMEN1KMT2ACYP11B1

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
US-11773252-B1 Transient polymer blends MORSECORP, Inc. (US) 2023-10-03 US disclosed