SCHEMBL10120091

SCHEMBL10120091

CCC(C)c1ncccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CASP3 P42574 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL2627822 0.83 HPGD (0.53) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL30540817 0.83 HPGD (0.44) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL1331823 0.81 HPGD (0.45) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL30715039 0.79 HPGD (0.43) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL26917374 0.79 HPGD (0.46) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL26917372 0.79 HPGD (0.46) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL25070622 0.77 HPGD (0.43) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
Hydrochloric Acid SCHEMBL26917240 0.77 HPGD (0.45) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
Hydrochloric Acid SCHEMBL26917236 0.77 HPGD (0.45) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL20621430 0.77 HPGD (0.41) HPGDALDH1A1SMN1; SMN2L3MBTL1NPC1

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
WO-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 — — WO disclosed
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