SCHEMBL27736346

SCHEMBL27736346

Cc1csc(C(=O)OC(=O)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
GCK P35557 2/20 0.43
TSHR P16473 2/20 0.42
KMT2A Q03164 3/20 0.41
GFER P55789 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NLRP1 Q9C000 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.39
RBBP9 O75884 1/20 0.39
GRM5 P41594 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
SCHEMBL30419382 0.79 MAPT (0.47) RAB9ANPC1GCKKMT2AGFER
SCHEMBL22005509 0.76 MAPK1 (0.54) RAB9ANPC1TSHRKMT2AGFER
SCHEMBL129265 0.74 MAPT (0.43) RAB9ANPC1TSHRKMT2AGFER
Ethane SCHEMBL27444853 0.73 TSHR (0.65) TSHRKMT2AALDH1A1LMNAF2
Methyl Alcohol SCHEMBL19514313 0.73 TSHR (0.65) TSHRKMT2AALDH1A1LMNAF2
Benzene SCHEMBL27793442 0.73 LMNA (0.70) TSHRKMT2AALDH1A1LMNAF2
SCHEMBL52413 0.73 LMNA (0.70) TSHRKMT2AALDH1A1LMNAF2
Hydrogen Peroxide SCHEMBL27952375 0.73 LMNA (0.70) TSHRKMT2AALDH1A1LMNAF2
SCHEMBL27753198 0.73 KMT2A (0.44) RAB9ANPC1KMT2AGFERALDH1A1
SCHEMBL11705928 0.73 TDP1 (0.50) RAB9ANPC1TSHRKMT2ALMNA

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
CN-101405282-B Aurora kinase modulators and methods of use AMGEN INC 2015-03-25 CN disclosed
CN-101405282-A Aurora kinase modulators and methods of use AMGEN INC (US) 2009-04-08 CN disclosed