SCHEMBL9712540

SCHEMBL9712540

Cc1c(C=O)ccc(Cl)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
ALDH1A1 P00352 7/20 0.36
KCNJ1 P48048 2/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ERN1 O75460 5/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
CASP3 P42574 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 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
SCHEMBL6015170 0.80 TDP1 (0.46) TDP1ALDH1A1KCNJ1TSHRCYP1A2
SCHEMBL4168460 0.78 TDP1 (0.45) TDP1ALDH1A1KCNJ1TSHRCYP1A2
SCHEMBL8604197 0.78 ALDH1A1 (0.38) TDP1ALDH1A1KCNJ1TSHRERN1
SCHEMBL1708271 0.78 ALDH1A1 (0.43) TDP1ALDH1A1KCNJ1TSHRCYP1A2
SCHEMBL31303741 0.78 ALDH1A1 (0.43) TDP1ALDH1A1KCNJ1TSHRCYP1A2
SCHEMBL3842233 0.78 TDP1 (0.45) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL10989431 0.77 TDP1 (0.43) TDP1ALDH1A1KCNJ1ERN1NSD2
SCHEMBL23835305 0.75 ERN1 (0.46) TDP1ALDH1A1ERN1POLBL3MBTL1
SCHEMBL30151958 0.75 ERN1 (0.46) TDP1ALDH1A1ERN1POLBL3MBTL1
SCHEMBL19948618 0.75 ERN1 (0.39) TDP1ALDH1A1KCNJ1TSHRERN1

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
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed