SCHEMBL9873206

SCHEMBL9873206

CCOC(=O)c1cccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SYK P43405 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
GALR1 P47211 1/20 0.46
BRAF P15056 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL7747047 0.85 SDHB (0.50) NPC1RAB9A
SCHEMBL124262 0.83 CA12 (0.50) TP53POLBHPGDNPC1RAB9A
Urethane SCHEMBL4538739 0.80 PDE4B (0.47) KDM4EALDH1A1MAPT
SCHEMBL29617015 0.80 TP53 (0.62) TP53POLBHPGDNPC1RAB9A
Urethane SCHEMBL4535005 0.79 CSNK1D (0.45) TP53HPGDKDM4EALDH1A1MAPT
Urethane SCHEMBL4530068 0.79 FOS (0.40) TP53HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9874042 0.79 KMO (0.51) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9340148 0.79 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL391755 0.78 MAPK1 (0.38) TP53POLBHPGDRAB9ASMN1; SMN2
SCHEMBL9874488 0.78 TTR (0.47) TP53NPC1RAB9AALDH1A1MAPT

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