SCHEMBL20901779

SCHEMBL20901779

O=C(OI)c1nnc(CCc2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
RAB9A P51151 6/20 0.50
NPC1 O15118 6/20 0.50
SRC P12931 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ABL1 P00519 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CES1 P23141 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL20901751 0.86 FFAR1 (0.44) LMNARAB9ANPC1SRCCASP3
SCHEMBL19801255 0.85 LMNA (0.52) LMNARAB9ANPC1SRCCASP3
SCHEMBL4315897 0.83 KDM4E (0.63) LMNARAB9ANPC1SRCCASP3
SCHEMBL4319595 0.83 ATM (0.57) LMNARAB9ANPC1SRCCASP3
SCHEMBL3911634 0.80 ATM (0.58) LMNARAB9ANPC1SRCCASP3
SCHEMBL20266311 0.75 ATM (0.74) LMNARAB9ANPC1SRCCASP3
SCHEMBL22272749 0.72 POLB (0.62) LMNARAB9ANPC1KDM4EHSD17B10
SCHEMBL17967149 0.71 FFAR1 (0.48) LMNASRCALDH1A1CES1MEN1
SCHEMBL19801239 0.71 FFAR1 (0.44) LMNARAB9ANPC1SRCCASP3
SCHEMBL17967116 0.70 FFAR1 (0.52) RAB9ANPC1SRCCASP3SENP7

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