SCHEMBL5086786

SCHEMBL5086786

CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1.Oc1ccccc1-n1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.53
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ POLB P06746 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8680885 0.88 KCNMA1 (0.48) KCNMA1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL29903 0.84 NPC1 (0.46) RAB9ANPC1LMNASMN1; SMN2TSHR
SCHEMBL29354035 0.84 NPC1 (0.46) RAB9ANPC1LMNASMN1; SMN2TSHR
SCHEMBL812171 0.81 KCNMA1 (0.46) KCNMA1RAB9ANPC1LMNASMN1; SMN2
Drometrizole SCHEMBL1011957 0.79 NPC1 (0.62) RAB9ANPC1LMNASMN1; SMN2KMT2A
SCHEMBL5510301 0.79 NPC1 (0.41) RAB9ANPC1LMNATSHRPOLB
SCHEMBL9437945 0.79 KCNMA1 (0.57) KCNMA1RAB9ALMNASMN1; SMN2TSHR
SCHEMBL1499910 0.78 NPC1 (0.45) RAB9ANPC1LMNASMN1; SMN2TSHR
SCHEMBL6558920 0.78 NPC1 (0.45) RAB9ANPC1LMNASMN1; SMN2TSHR
SCHEMBL30393631 0.78 NPC1 (0.45) RAB9ANPC1LMNASMN1; SMN2TSHR

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-1992659-A1 Molten polyamide moulding composition for manufacturing transparent moulded parts EMS-PATENT AG (CH) 2008-11-19 — — EP claimed
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