SCHEMBL11612145

SCHEMBL11612145

Oc1ccc(Br)cc1-n1nnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.67
▸ MGAM O43451 3/20 0.44
▸ AMY1A P0DUB6 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ SI P14410 3/20 0.44
▸ MGAM2 Q2M2H8 3/20 0.44
▸ F12 P00748 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 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
SCHEMBL11880576 0.84 KCNMA1 (0.71) KCNMA1RAB9AKMT2AMAPK1POLB
SCHEMBL29845601 0.82 KCNMA1 (0.67) KCNMA1MGAMAMY1AGAASI
SCHEMBL502853 0.82 KCNMA1 (0.67) KCNMA1MGAMAMY1AGAASI
SCHEMBL890612 0.82 KCNMA1 (0.67) KCNMA1MGAMAMY1AGAASI
SCHEMBL80393 0.80 KCNMA1 (1.00) KCNMA1MGAMAMY1AGAASI
SCHEMBL4451236 0.78 KCNMA1 (0.61) KCNMA1GAARAB9AKMT2AMAPK1
SCHEMBL28244365 0.78 KCNMA1 (0.61) KCNMA1MGAMAMY1AGAASI
SCHEMBL10613623 0.76 KCNMA1 (0.58) KCNMA1RAB9AKMT2AMAPK1POLB
SCHEMBL2730923 0.75 KCNMA1 (0.57) KCNMA1GAARAB9AKMT2AMAPK1
SCHEMBL9437945 0.75 KCNMA1 (0.57) KCNMA1RAB9AKMT2AMAPK1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4089839-A STABILIZERS/AGENTS UNIROYAL, INC. (US) 1978-05-16 — — US disclosed
US-3978074-A CATALYTIC HYDROGENATION UNIROYAL INC. (US) 1976-08-31 — — US disclosed
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