SCHEMBL20139799

SCHEMBL20139799

Cc1c(C=O)cc(C(=O)O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
KDM4E B2RXH2 4/20 0.46
CTDSP1 Q9GZU7 3/20 0.46
CASP6 P55212 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 5/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 10/20 0.42
TDP1 Q9NUW8 4/20 0.42
APEX1 P27695 3/20 0.42
ALOX12 P18054 1/20 0.41
ERN1 O75460 1/20 0.41
MCL1 Q07820 2/20 0.41
GPR35 Q9HC97 1/20 0.41
NSD2 O96028 1/20 0.40
PKM P14618 1/20 0.40
CASP3 P42574 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL20141338 0.80 ALDH1A1 (0.50) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL2682378 0.79 MCL1 (0.40) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL2497506 0.75 HSD17B10 (0.47) L3MBTL1KDM4EHSD17B10GFERALDH1A1
SCHEMBL2518213 0.73 ALDH1A1 (0.57) POLBL3MBTL1KDM4ECTDSP1CASP6
SCHEMBL20142393 0.72 MEN1 (0.56) POLBCTDSP1HSD17B10ALDH1A1LMNA
SCHEMBL689571 0.69 MCL1 (0.53) POLBL3MBTL1KDM4ECTDSP1HSD17B10
SCHEMBL8989151 0.67 KMT2A (0.44) POLBL3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL28091345 0.67 HSD17B10 (0.40) POLBL3MBTL1KDM4EHSD17B10GFER
SCHEMBL20158903 0.66 HSD17B10 (0.39) L3MBTL1KDM4EHSD17B10GFERALDH1A1
SCHEMBL11193555 0.65 HSD17B10 (0.46) KDM4EHSD17B10GFERALDH1A1MCL1

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed