SCHEMBL10987529

SCHEMBL10987529

Cc1ccc2cc(C)n(CCC#N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL10993351 0.82 KDM4E (0.54) KDM4ERAB9AMEN1KMT2ACASP1
SCHEMBL21335596 0.75 MAPT (0.43) KDM4EMEN1KMT2ACASP1USP2
SCHEMBL21983719 0.75 KMT2A (0.40) KDM4ERAB9AMEN1KMT2ACASP1
SCHEMBL17484539 0.75 RAB9A (0.55) KDM4ERAB9AMEN1KMT2ACASP1
SCHEMBL9178579 0.74 HTR2A (0.53) KDM4ERAB9AMAPTRXFP1HTR2A
SCHEMBL21983450 0.74 CYP1A2 (0.39) KDM4EMEN1KMT2ACASP1USP2
SCHEMBL21983721 0.71 HSD17B10 (0.37) KDM4ERAB9AMEN1KMT2ACASP1
SCHEMBL1103817 0.70 ALDH1A1 (0.40) KDM4ERAB9AMEN1KMT2ACASP1
SCHEMBL21983449 0.70 HTR2A (0.41) MEN1KMT2ACASP1USP2ESR1
SCHEMBL5986735 0.69 MAPT (0.52) KDM4ERAB9AMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 — — US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
US-4101541-A DYES FOR POLYESTERS OR POLYPROPYLENE CIBA-GEIGY CORPORATION (US) 1978-07-18 — — US disclosed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 — — US disclosed
US-4028323-A WITH A SUBSTITUTED AMINOBENZENE CIBA-GEIGY AG (CH) 1977-06-07 — — US disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 — — US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 — — US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 — — US disclosed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 — — US disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 — — US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 — — US disclosed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 — — US disclosed
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