Benzonitrile

Benzonitrile

SCHEMBL15560825

N#Cc1ccc(Cn2nnc(-c3cnn(-c4ccccc4Cl)c3Br)n2)cc1.N#Cc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ ESR1 P03372 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL15560980 0.98 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15555273 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15560495 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15554204 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15554970 0.87 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15555844 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15555422 0.86 CYP19A1 (0.40) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15554738 0.86 CYP19A1 (0.40) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15553907 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15560653 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A

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-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 — — WO claimed
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