SCHEMBL21779630

SCHEMBL21779630

CC(C)Nc1cc(CI)cc(CI)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11418865 0.79 TDP1 (0.41) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL10024341 0.74 TDP1 (0.55) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL11444008 0.72 TDP1 (0.35) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL5442950 0.71 ALDH1A1 (0.30) ALDH1A1ALOX15ALOX12HSD17B10
SCHEMBL27304066 0.69 ROCK2 (0.36) TDP1ALDH1A1LMNAALOX15L3MBTL1
SCHEMBL18358107 0.69 TRPM8 (0.39) TDP1ALDH1A1LMNARECQLL3MBTL1
SCHEMBL11408555 0.68 RAPGEF4 (0.39) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL14446457 0.66 GABRA1 (0.38) TDP1ALDH1A1LMNACYP3A4TSHR
SCHEMBL18998887 0.65 TDP1 (0.46) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL20763402 0.65 TDP1 (0.46) TDP1ALDH1A1LMNACYP3A4THRB

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
EP-3245213-B1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL MYERS SQUIBB CO (US) 2020-03-04 — — EP disclosed
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