SCHEMBL7739957

SCHEMBL7739957

C=CC(=Nc1ccccc1)Nc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ G6PD P11413 1/20 0.39
▸ GAA P10253 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
SCHEMBL7738018 0.79 SIGMAR1 (0.48) RAB9ANPC1KDM4EMAPTCYP1A2
SCHEMBL7736689 0.78 GRIN2D (0.53) CRHR1RAB9ANPC1MAPTCYP1A2
SCHEMBL7737412 0.77 GRIN2D (0.48) MAPTCYP1A2ALDH1A1CYP2C19LMNA
Hydrochloric Acid SCHEMBL9221356 0.76 GRIN2D (0.52) CRHR1MAPTCYP1A2ALDH1A1LMNA
SCHEMBL7737407 0.76 L3MBTL1 (0.48) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL27003087 0.75 SIGMAR1 (0.59) CRHR1RAB9ANPC1KDM4EMAPT
SCHEMBL30452125 0.70 MMP1 (0.60) EGFRMMP1MMP2MMP9RAB9A
SCHEMBL10477308 0.70 MMP1 (0.60) EGFRMMP1MMP2MMP9RAB9A
SCHEMBL8512135 0.69 MMP1 (0.58) EGFRMMP1MMP2MMP9RAB9A
SCHEMBL8587474 0.65 ALDH1A1 (0.62) RAB9ANPC1MAPK1KDM4EMAPT

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-2002000642-A1 METHOD FOR PREPARATION OF AN INTERMEDIATE DYE PRODUCT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-01-03 — — WO disclosed
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