SCHEMBL11415064

SCHEMBL11415064

Fc1ccc(-c2nc3n(n2)CCc2ccccc2-3)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.75
▸ NPC1 O15118 7/20 0.75
▸ RAB9A P51151 6/20 0.75
▸ TP53 P04637 4/20 0.75
▸ POLB P06746 4/20 0.75
▸ PKM P14618 3/20 0.75
▸ NFKB1 P19838 2/20 0.75
▸ NFKB2 Q00653 2/20 0.75
▸ RELA Q04206 2/20 0.75
▸ LMNA P02545 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GAA P10253 3/20 0.41

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
SCHEMBL11240902 0.89 NPC1 (0.59) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11421901 0.88 NPC1 (0.58) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11408809 0.86 NPC1 (0.57) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11417372 0.86 NPC1 (0.75) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL12692398 0.86 RAB9A (1.00) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11408848 0.85 NPC1 (0.55) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11418346 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11422441 0.81 RAB9A (0.51) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11257628 0.81 NPC1 (0.57) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL11415109 0.81 NPC1 (0.53) SMN1; SMN2NPC1RAB9ATP53POLB

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-RE30456-E ANTIFERTILITY AGENTS, ANTIINFLAMATORY AGENTS AND CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-12-23 — — US claimed
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