SCHEMBL8985172

SCHEMBL8985172

Cc1ccc2[nH]c(CC#N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
POLB P06746 4/20 0.49
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MEN1 O00255 5/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
EGFR P00533 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
GFER P55789 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL8985181 0.87 KMT2A (0.66) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL31516298 0.87 KMT2A (0.66) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL30401567 0.81 IDO1 (0.45) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11339364 0.81 TDP1 (0.47) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL3391736 0.81 GRIN1 (0.43) KMT2AMEN1EGFR
SCHEMBL12940748 0.81 CSNK2A1 (0.45) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL29014490 0.81 IDO1 (0.45) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12596890 0.81 EGFR (0.42) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL10833211 0.80 ALDH1A1 (0.46) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL6311638 0.80 KMT2A (0.62) KMT2APOLBRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872288-A Method for synthesizing benzimidazole [1,2-a ] quinoline compound 浙江工业大学 2020-03-10 CN disclosed
EP-0612732-B1 Process for the production of (un)substituted 2-(cyanomethyl)benzimidazole HOECHST AG (DE) 1996-07-17 EP disclosed
US-5510494-A REACTING AN ORTHO-PHENYLENEDIAMINE WITH A CYANOACETIC ESTER IN A HALOGEN-FREE INERT SOLVENT WITHOUT ADDING AN AROMATIC SULFONIC ACID AS CATALYST HOECHST AG (DE) 1996-04-23 US disclosed
EP-0612732-A1 Process for the production of (un)substituted 2-(cyanomethyl)benzimidazole HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-31 EP disclosed
US-4268668-A FOR WOOL AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4051099-A ISOINDOLES CIBA-GEIGY CORPORATION (US) 1977-09-27 US disclosed