SCHEMBL11249308

SCHEMBL11249308

CCOC(=O)C1(F)C(=O)NC(=O)NC1Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL11248192 0.88 OPRM1 (0.38) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11243909 0.88 USP2 (0.35) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11236106 0.86 LMNA (0.41) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11241152 0.82 ALDH1A1 (0.38) POLBMEN1KMT2ATP53MAPT
SCHEMBL11240689 0.78 ALDH1A1 (0.37) POLBMEN1KMT2AMAPTCA12
SCHEMBL11235754 0.77 MEN1 (0.40) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11248698 0.77 ALDH1A1 (0.35) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11245331 0.76 SMN1; SMN2 (0.41) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11243202 0.76 HSD17B10 (0.36) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11246583 0.76 HSD17B10 (0.36) POLBMEN1KMT2AALDH1A1SMN1; SMN2

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
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US claimed
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US disclosed