SCHEMBL8985181

SCHEMBL8985181

Cc1ccc2nc(CC#N)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
POLB P06746 4/20 0.66
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 4/20 0.55
MEN1 O00255 3/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
GFER P55789 2/20 0.52
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 2/20 0.47

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
SCHEMBL31516298 1.00 KMT2A (0.66) KMT2APOLBRAB9ASMN1; SMN2NPC1
SCHEMBL8985172 0.87 KMT2A (0.49) KMT2APOLBRAB9ASMN1; SMN2NPC1
SCHEMBL3391734 0.84 GRIN1 (0.55) KMT2APOLBRAB9ASMN1; SMN2NPC1
SCHEMBL31516312 0.81 IDO1 (0.60) KMT2APOLBKDM4EMAPTPIN1
SCHEMBL31516296 0.81 TDP1 (0.64) KMT2ARAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11339381 0.81 TDP1 (0.64) KMT2ARAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL10833217 0.80 GRIN1 (0.55) KMT2APOLBRAB9ASMN1; SMN2NPC1
SCHEMBL29732973 0.80 GRIN1 (0.55) KMT2APOLBRAB9ASMN1; SMN2NPC1
SCHEMBL6311638 0.80 KMT2A (0.62) KMT2APOLBRAB9ASMN1; SMN2NPC1
SCHEMBL10142439 0.80 KMT2A (0.74) KMT2APOLBRAB9ASMN1; SMN2NPC1

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 4 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
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
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