SCHEMBL9872595

SCHEMBL9872595

CCCOC(=O)/C=C/c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.50
ALOX5 P09917 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA2 P00918 1/20 0.43
MET P08581 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL9872599 1.00 APP (0.50) APPALOX5CA12CA1CA7
SCHEMBL9874052 0.90 CA12 (0.55) ALOX5CA12CA1CA7CA9
SCHEMBL9874060 0.90 CA12 (0.55) ALOX5CA12CA1CA7CA9
SCHEMBL9462236 0.84 CA12 (0.51) APPALOX5CA12CA1CA7
SCHEMBL9462232 0.84 CA12 (0.51) APPALOX5CA12CA1CA7
SCHEMBL9872065 0.80 ALDH1A1 (0.53) LMNATDP1ESR1CYP3A4SMN1; SMN2
SCHEMBL9874348 0.78 KMT2A (0.50) LMNAMAOBSMN1; SMN2
SCHEMBL9874346 0.78 KMT2A (0.50) LMNAMAOBSMN1; SMN2
SCHEMBL9871321 0.78 ESR1 (0.46) APPALOX5CA12CA1CA7
SCHEMBL9871317 0.78 ESR1 (0.46) APPALOX5CA12CA1CA7

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-5064959-A Photoinitiators HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed