SCHEMBL12353792

SCHEMBL12353792

COc1ccc2nc(C(=O)N3CCNCC3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ SCD O00767 2/20 0.52
▸ MAPT P10636 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ ILK Q13418 1/20 0.49
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL8865437 0.80 MAOA (0.58) MAOAMAOBSCDMAPTRAB9A
SCHEMBL7169922 0.78 KMT2A (0.59) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL12320017 0.77 SCD (0.49) SCDMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL3634489 0.76 HSD17B1 (0.63) MAOAMAOBSCDMAPTRAB9A
SCHEMBL9548105 0.76 PTGS2 (0.77) MAPTRAB9ANPC1TP53HPGD
SCHEMBL2708042 0.76 SCN4A (0.71) MAPTRAB9ASMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL9547994 0.75 PTGS2 (0.75) MAPTRAB9ANPC1TP53HPGD
SCHEMBL3086399 0.75 MAPT (0.61) MAOAMAOBSCDMAPTRAB9A
SCHEMBL7158014 0.75 MAPT (0.64) MAOAMAOBSCDMAPTRAB9A
SCHEMBL12353721 0.75 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2HPGDALDH1A1HTT

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-2351749-A1 CARBAMATE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-08-03 — — EP disclosed
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