SCHEMBL13356334

SCHEMBL13356334

N#Cc1ccc(CCc2ccc(N)cc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.44
▸ GFER P55789 1/20 0.42
▸ KCNJ1 P48048 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ DAO P14920 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ MAOA P21397 3/20 0.37
▸ MAOB P27338 3/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA4 P22748 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
Hydrochloric Acid SCHEMBL3253957 0.98 LOXL2 (0.43) LOXL2GFERKCNJ1KCNH2DAO
SCHEMBL10890416 0.78 CASP1 (0.46) GFERCYP19A1TSHRHSD17B10MAOA
SCHEMBL3245628 0.77 CYP1A2 (0.50) GFERKCNH2DAOCYP19A1CYP2A6
SCHEMBL4810025 0.77 ESR1 (0.52) GFERCYP19A1L3MBTL1HSD17B10MAOA
SCHEMBL4810383 0.77 MAOB (0.59) LOXL2GFERCYP19A1CYP2A6HSD17B10
Hydrochloric Acid SCHEMBL3244731 0.76 BLM (0.52) GFERCYP19A1L3MBTL1HSD17B10MAOA
SCHEMBL1004267 0.75 LOXL2 (0.64) LOXL2KCNJ1KCNH2DAOCYP19A1
Hydrochloric Acid SCHEMBL3251098 0.75 MAOB (0.61) LOXL2GFERCYP19A1CYP2A6TSHR
SCHEMBL14193178 0.75 MAOB (0.52) GFERKCNH2DAOCYP19A1HSD17B10
SCHEMBL9642642 0.74 LOXL2 (0.54) LOXL2GFERKCNJ1KCNH2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 — — EP disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
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