SCHEMBL8990842

SCHEMBL8990842

ClNc1ccc(-c2ccc(NCl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KIF11 P52732 3/20 0.36
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
TXN P10599 1/20 0.32
PTPN1 P18031 5/20 0.32
PTPN11 Q06124 1/20 0.32
CYP1A2 P05177 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL15147441 0.89 ALDH1A1 (0.33) L3MBTL1ALDH1A1TDP1
SCHEMBL5026070 0.88 ALDH1A1 (0.50) HTTSMN1; SMN2L3MBTL1ALDH1A1NPC1
SCHEMBL20672948 0.80 SCN5A (0.35) HTTSMN1; SMN2L3MBTL1KIF11
SCHEMBL10692096 0.76
SCHEMBL1103762 0.76
SCHEMBL6235346 0.75 CYP3A4 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL197675 0.73
SCHEMBL2580143 0.73
SCHEMBL1129102 0.73
SCHEMBL2154577 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722969-A1 Aromatic polyimides derived from aromatic dianhydrides and chlorinated aromatic diamines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-24 EP disclosed
US-5175240-A Using chlorinated aromatic diamine E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-29 US disclosed
EP-0491306-A1 Aromatic polyimides derived from aromatic dianhydrides and chlorinated aromatic diamines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-24 EP disclosed
US-4129678-A POLYIMIDE, POLYAMIDEIMIDE OR POLYESTERIMIDE LAYER AND POLYVINYL FORMAL OR EPOXY RESIN LAYER HITACHI, LTD. (JP) 1978-12-12 US disclosed