SCHEMBL31107271

SCHEMBL31107271

CCOC(=O)c1nc(O)c(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PTPN11 Q06124 1/20 0.39
CYP1A2 P05177 3/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TSHR P16473 1/20 0.39
GLP1R P43220 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL31107210 0.79 ALDH1A1 (0.40) TARBP2TRPM8NPC1LMNARAB9A
SCHEMBL29693174 0.79 ALDH1A1 (0.40) TARBP2TRPM8NPC1LMNARAB9A
SCHEMBL24558259 0.78 TARBP2 (0.39) TARBP2CYP1A2TSHRGLP1RKDM4E
SCHEMBL2929292 0.75 KDM4E (0.55) RAB9ACA12CA1CA2CA7
SCHEMBL3706487 0.74 GLP1R (0.48) TRPM8NPC1LMNARAB9ACA12
SCHEMBL17362538 0.74 TARBP2 (0.42) TARBP2NPC1RAB9ATSHRCYP2C19
SCHEMBL31345635 0.74 GLP1R (0.48) TRPM8NPC1LMNARAB9ACA12
SCHEMBL1819905 0.72 TSHR (0.48) LMNACA12CA1CA2CA7
SCHEMBL30200423 0.72 TARBP2 (0.46) TARBP2NPC1LMNARAB9ACYP1A2
SCHEMBL15968597 0.72 CA12 (0.46) NPC1LMNARAB9ACA12CA1

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
CN-113508118-B Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2024-07-19 CN disclosed