SCHEMBL10705258

SCHEMBL10705258

CCCCN(F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
TP53 P04637 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
KCNH2 Q12809 3/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL20221303 0.94 NPC1 (0.47) TDP1ESR1NPSR1NPC1JAK2
SCHEMBL27611446 0.92 NPC1 (0.50) NPC1JAK2RAB9APAX8OPRM1
SCHEMBL9289298 0.86 TP53 (0.42) TDP1ESR1NPC1JAK2RAB9A
SCHEMBL9755244 0.84 MEN1 (0.45) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL1634907 0.81 ALDH1A1 (0.46) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL2065327 0.81 ALDH1A1 (0.40) TDP1MEN1KMT2ANPSR1NPC1
SCHEMBL20543278 0.80 MEN1 (0.52) TDP1ESR1MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL3323102 0.79 ALDH1A1 (0.45) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL17333531 0.79 TDP1 (0.39) TDP1ESR1MEN1KMT2ANPC1
Hexane SCHEMBL12760845 0.79 MAPT (0.50) TDP1NPSR1NPC1JAK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167918-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1988-09-14 EP disclosed
EP-0141170-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-05-13 EP disclosed