SCHEMBL9842964

SCHEMBL9842964

COc1cc(CSc2nc3cnccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 5/20 0.55
PKM P14618 3/20 0.55
SMN1; SMN2 Q16637 8/20 0.50
CYP2E1 P05181 7/20 0.49
CYP2C8 P10632 7/20 0.49
CYP2D6 P10635 7/20 0.49
CYP2C9 P11712 7/20 0.49
CYP2B6 P20813 7/20 0.49
CYP2C19 P33261 7/20 0.49
CYP1A2 P05177 6/20 0.49
CYP3A4 P08684 6/20 0.49
NOS2 P35228 2/20 0.49
BRS3 P32247 1/20 0.49
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
KMT2A Q03164 2/20 0.47

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
Hydrochloric Acid SCHEMBL9692690 0.99 RAB9A (0.54) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL9690543 0.85 CYP2E1 (0.67) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL9692929 0.84 RAB9A (0.55) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL9693023 0.81 RAB9A (0.70) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL25319204 0.81 RAB9A (0.62) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL9692587 0.80 RAB9A (0.57) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL9690499 0.80 RAB9A (0.83) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL9690585 0.80 SMN1; SMN2 (0.75) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL25321130 0.79 RAB9A (0.62) RAB9ANPC1PKMSMN1; SMN2CYP2E1
SCHEMBL25319814 0.79 RAB9A (0.64) RAB9ANPC1PKMSMN1; SMN2CYP2E1

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-0434405-A1 Imidazo[4,5-c]pyridines as antiosteoporotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-26 EP disclosed