SCHEMBL7767276

SCHEMBL7767276

O=C(NCc1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CNR2 P34972 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48

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
Ether SCHEMBL29279195 0.89 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2CYP2C19CYP2C9
SCHEMBL506307 0.83 MTOR (0.54) SMN1; SMN2POLBALDH1A1
SCHEMBL2054822 0.83 EPHX2 (0.50) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL1094537 0.82 CNR1 (0.57) SMN1; SMN2CYP2C19RAB9ACYP1A2NPC1
SCHEMBL23254961 0.81 TPSAB1 (0.61) SMN1; SMN2CYP2C19CYP2C9CYP1A2TSHR
SCHEMBL20289377 0.81 TGM2 (0.54) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL1709264 0.81 MEN1 (0.63) MEN1KMT2ASMN1; SMN2CYP2C19CYP2C9
SCHEMBL16357712 0.81 HDAC6 (0.46) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2098729 0.81 EPHX2 (0.44) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2250967 0.81 EPHX2 (0.51) SMN1; SMN2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772034-A Preparation process of 2-p-chlorophenyl-5- (trifluoromethyl) pyrrole-3-nitrile 山东亿嘉农化有限公司 2024-10-15 CN claimed
CN-117586167-A New synthesis process of chlorfenapyr 山东潍坊双星农药有限公司 2024-02-23 CN claimed
CN-118772034-A Preparation process of 2-p-chlorophenyl-5- (trifluoromethyl) pyrrole-3-nitrile 山东亿嘉农化有限公司 2024-10-15 CN disclosed
CN-118772034-A Preparation process of 2-p-chlorophenyl-5- (trifluoromethyl) pyrrole-3-nitrile 山东亿嘉农化有限公司 2024-10-15 CN disclosed
CN-117586167-A New synthesis process of chlorfenapyr 山东潍坊双星农药有限公司 2024-02-23 CN disclosed
CN-117586167-A New synthesis process of chlorfenapyr 山东潍坊双星农药有限公司 2024-02-23 CN disclosed
EP-0531702-B1 Process for the manufacture of insecticidal, nematicidal and acaricidal 2-aryl-3-subst. -5-(trifluoromethyl)pyrrole compounds from N-(subst. benzyl)-2,2,2-trifluoroacetimidoyl chloride compounds BASF AG (DE) 2001-05-30 EP disclosed
EP-0531702-A1 Process for the manufacture of insecticidal, nematicidal and acaricidal 2-aryl-3-substitued-5-(trifluoromethyl)pyrrole compounds from N-(substituted benzyl)-2,2,2-trifluoroacetimidoyl chloride compounds AMERICAN CYANAMID COMPANY (US) 1993-03-17 EP disclosed
US-5145986-A Process for the manufacture of insecticidal, nematicidal and acaricidal 2-aryl-3-substituted-5-(trifluoromethyl)pyrrole compounds from N-(substituted benzyl)-2,2,2-trifluoro-acetimidoyl chloride compounds AMERICAN CYANAMID COMPANY (US) 1992-09-08 US disclosed