SCHEMBL20901751

SCHEMBL20901751

O=C(OI)c1nnc(CCc2ccc(F)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.44
ENPP2 Q13822 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 3/20 0.39
GLS O94925 1/20 0.39
LMNA P02545 2/20 0.39
DGAT1 O75907 1/20 0.39
CASP3 P42574 2/20 0.38
RAB9A P51151 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
POLB P06746 1/20 0.38
SRC P12931 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19801239 0.86 FFAR1 (0.44) FFAR1ENPP2HDAC1HDAC6NPC1
SCHEMBL20901779 0.86 LMNA (0.52) NPC1LMNACASP3RAB9ASENP7
SCHEMBL19793299 0.82 FFAR1 (0.47) FFAR1ENPP2HDAC1HDAC6NPC1
SCHEMBL17967710 0.81 FFAR1 (0.44) FFAR1ENPP2HDAC1HDAC6NPC1
Hydrochloric Acid SCHEMBL21391937 0.80 FFAR1 (0.43) FFAR1ENPP2HDAC1HDAC6NPC1
SCHEMBL17967149 0.72 FFAR1 (0.48) FFAR1ENPP2LMNASRCMEN1
SCHEMBL19801255 0.71 LMNA (0.52) NPC1LMNACASP3RAB9ASENP7
SCHEMBL17967187 0.70 KDM4E (0.48) FFAR1ENPP2NPC1LMNARAB9A
SCHEMBL4315897 0.69 KDM4E (0.63) NPC1GLSLMNACASP3RAB9A
SCHEMBL17967711 0.69 ATM (0.69) GLSLMNAPOLBHPGDMEN1

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
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 EP disclosed