SCHEMBL2402122

SCHEMBL2402122

O=C(Cl)Oc1cccc2c1-c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.41
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
ELANE P08246 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
EGFR P00533 1/20 0.34
PIM1 P11309 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL6220950 0.87 KEAP1 (0.49) TOP1ALDH1A1MAPTLMNAHPGD
SCHEMBL27961252 0.82 TOP1 (0.46) TOP1ALDH1A1MAPTLMNAHPGD
SCHEMBL2137125 0.81 FABP7 (0.39) TOP1ALDH1A1MAPTLMNAHPGD
SCHEMBL27512237 0.81 KDM4E (0.52) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL8675454 0.80 TTR (0.52) ALDH1A1MAPTLMNAHPGDNPC1
SCHEMBL9337991 0.79 TOP1 (0.59) TOP1MAPTLMNANPC1MEN1
SCHEMBL5696260 0.79 SERPINE1 (0.43) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL30524282 0.79 SERPINE1 (0.43) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL9860065 0.77 TOP1 (0.35) TOP1ALDH1A1MAPTLMNAHPGD
SCHEMBL28406639 0.77 TYMS (0.47) TOP1ALDH1A1MAPTLMNAHPGD

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-2017228-B1 PROCESS FOR PRODUCING FRESHWATER TORAY INDUSTRIES (JP) 2013-12-25 EP disclosed
US-20110226695-A1 METHOD FOR PRODUCING FRESH WATER TORAY INDUSTRIES, INC. (JP) 2011-09-22 US disclosed
EP-2017228-A1 PROCESS FOR PRODUCING FRESHWATER TORAY INDUSTRIES, INC. (JP) 2009-01-21 EP disclosed