SCHEMBL8798649

SCHEMBL8798649

NC(Cl)(Cl)C(=O)N(Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 6/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 1/20 0.35
GLA P06280 2/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL7891308 0.82 NPSR1 (0.41) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL6933247 0.80 KMT2A (0.47) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL5533132 0.78 CES1 (0.43) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL6928667 0.76 KMT2A (0.43) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL6933565 0.74 ATM (0.41) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL3641338 0.74 NPSR1 (0.46) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL11115139 0.73 NPSR1 (0.56) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL3730131 0.73 NPSR1 (0.50) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL6932838 0.73 ALDH1A1 (0.43) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19
SCHEMBL5932378 0.72 NPSR1 (0.48) NPSR1SMN1; SMN2KMT2ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517476-B1 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL CO (JP) 1997-10-08 EP disclosed
US-5472974-A Benzimidazole derivatives, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-12-05 US disclosed
US-5395952-A Nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-07 US disclosed
US-5310747-A Benzimidazole derivatives, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-05-10 US disclosed
US-5234938-A BENZIMIDAZOLE DERIVATIVE, ITS INTERMEDIATE COMPOUNDS AND AN AGRICULTURAL AND HORTICULTURAL FUNGICIDE CONTAINING THE BENZIMIDAZOLE DERIVATIVE AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-10 US disclosed
EP-0517476-A2 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-12-09 EP disclosed
EP-0487286-A1 Benzimidazole derivative, a method for producing the same, its intermediate compounds and an agricultural and horticultural fungicide containing the benzimidazole derivative as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-27 EP disclosed