SCHEMBL7216626

SCHEMBL7216626

COc1ccc(NC(=O)c2c[nH]c3c2-c2nn(C)cc2CCC3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
NAMPT P43490 1/20 0.41
AXL P30530 6/20 0.40
GGPS1 O95749 1/20 0.40
SCN8A Q9UQD0 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 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
SCHEMBL7399792 0.81 AXL (0.45) APLNRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7216812 0.81 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL7217055 0.80 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL7216469 0.78 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6831069 0.78 NAMPT (0.53) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL7216813 0.77 F10 (0.39) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL7216803 0.77 NR3C1 (0.41) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL7221648 0.77 JAK2 (0.40) RAB9AMEN1KMT2A
SCHEMBL7223258 0.77 HPGD (0.39) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6834309 0.75 LMNA (0.42) NPC1RAB9AMAPTSMN1; SMN2HPGD

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-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 US disclosed