SCHEMBL9812914

SCHEMBL9812914

O=C(Cl)c1ccc2c(C(=O)Cl)cccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ PRNP P04156 1/20 0.33
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ESR1 P03372 1/20 0.32

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
SCHEMBL9812941 0.87 ALDH1A1 (0.39) ALDH1A1ALOX15KMT2AATMTSHR
SCHEMBL2153429 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15KMT2AATMTSHR
SCHEMBL2154872 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15KMT2AATMTSHR
SCHEMBL29599305 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15KMT2AATMTSHR
SCHEMBL5285030 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRNR4A1NR4A2
Hydrochloric Acid SCHEMBL9812916 0.78 TSHR (0.57) ALDH1A1ALOX15KMT2AATMTSHR
SCHEMBL8901363 0.77 ALDH1A1 (0.40) ALDH1A1ALOX15KMT2AATMTSHR
SCHEMBL29820418 0.77 ALDH1A1 (0.40) ALDH1A1ALOX15KMT2AATMTSHR
SCHEMBL8681030 0.76 CYP2A6 (0.52) ALDH1A1KMT2ATSHRNR4A1NR4A2
SCHEMBL10948463 0.76 KMT2A (0.41) ALDH1A1ALOX15KMT2AATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113252-B1 PROCESS FOR PRODUCING BLOCK COPOLYAMIDE TORAY INDUSTRIES, INC. (JP) 1991-08-07 — — EP disclosed
US-4507465-A IMPACT STRENGTH TORAY INDUSTRIES, INC. (JP) 1985-03-26 — — US disclosed
EP-0113252-A2 Process for producing block copolyamide TORAY INDUSTRIES, INC. (JP) 1984-07-11 — — EP disclosed
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