SCHEMBL8993311

SCHEMBL8993311

CC(OC(=O)Nc1ccc(C(=O)O)cc1)SC1c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCL2 P10415 1/20 0.36
PTGFR P43088 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8993273 0.87 F11 (0.41) KDM4EMAPTHPGD
SCHEMBL8993354 0.81 POLB (0.44) POLBCA12CA1CA2CA9
SCHEMBL11953212 0.70 NPC1 (0.65) CA12CA2CA9KDM4EALDH1A1
SCHEMBL8993329 0.68 NHERF1 (0.42) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL19628853 0.67 RAB9A (0.49) CA12CA2CA9KDM4EMAPT
SCHEMBL19563255 0.64 FPR2 (0.55) POLBKDM4EMAPTALDH1A1MEN1
SCHEMBL19563264 0.64 FPR2 (0.55) POLBKDM4EMAPTALDH1A1MEN1
SCHEMBL3001175 0.63 SMN1; SMN2 (0.64) POLBCA1CA2MAPTALDH1A1
SCHEMBL16742520 0.62 FPR2 (0.57) MEN1KMT2ANPC1CYP1A2CYP2D6
SCHEMBL16742517 0.62 FPR2 (0.57) MEN1KMT2ANPC1CYP1A2CYP2D6

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
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed