SCHEMBL11181440

SCHEMBL11181440

CC(C)NC(C=Cc1cccs1)=NC#N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11181436 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPSR1HPGDTAS1R3
SCHEMBL11186564 0.85 LMNA (0.49) ALDH1A1SMN1; SMN2HPGDTAS1R3TAS1R1
SCHEMBL11186560 0.85 LMNA (0.49) ALDH1A1SMN1; SMN2HPGDTAS1R3TAS1R1
SCHEMBL11188856 0.77 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPSR1MAPTHCAR2
SCHEMBL11188848 0.77 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPSR1MAPTHCAR2
Hydrochloric Acid SCHEMBL11188573 0.76 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPSR1HPGDTAS1R3
Hydrochloric Acid SCHEMBL11188582 0.76 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPSR1HPGDTAS1R3
SCHEMBL11181441 0.76 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDTAS1R3TAS1R1
SCHEMBL11188209 0.74 HCAR2 (0.49) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL11188205 0.74 HCAR2 (0.49) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT

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-4407816-A ANTIULCER KOTOBUKI SEIYAKU COMPANY LIMITED (JP) 1983-10-04 — — US disclosed
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