SCHEMBL11260143

SCHEMBL11260143

Cc1ccc(C)n1NC(=O)CCl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 8/20 0.47
ALOX15 P16050 4/20 0.45
USP2 O75604 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 1/20 0.40
PRMT1 Q99873 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
SCHEMBL4573808 0.75 CYP3A4 (0.57) MEN1KMT2ACYP3A4CYP2C9CYP2C19
Fumaric Acid SCHEMBL8304290 0.71 CYP3A4 (0.45) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2635660 0.66 EGFR (0.63) KMT2ACYP2C9MAPTALDH1A1POLB
SCHEMBL11214735 0.64 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL17131912 0.64 MAPT (1.00) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8673747 0.63 NAMPT (0.45) ALDH1A1HTTSMN1; SMN2
SCHEMBL17137972 0.63 ALDH1A1 (0.68) ALDH1A1POLBLMNAHPGDHTT
SCHEMBL916728 0.62 POLB (0.73) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL10784324 0.61 ALDH1A1 (0.40) MEN1KMT2ACYP3A4CYP2C19MAPT
SCHEMBL307790 0.61 MEN1 (0.62) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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
US-4362548-A Herbicidal and plant-growth-regulating N-substituted-N-(2,5-dialkylpyrrol-1-yl) haloacetamides CHEVRON RESEARCH COMPANY (US) 1982-12-07 US disclosed
US-4282028-A Herbicidal and plant-growth-regulating N-substituted-N-(2,5-dialkylpyrrol-1-yl) haloacetamides CHEVRON RESEARCH COMPANY (US) 1981-08-04 US disclosed