SCHEMBL28207997

SCHEMBL28207997

Cc1c(C(=O)O)n(C)c2cccc(F)c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 0.43
RORC P51449 4/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
MCL1 Q07820 2/20 0.37
ALB P02768 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL19331295 0.81 EGFR (0.45) MEN1KMT2AALDH1A1TSHRRORC
SCHEMBL28183120 0.79 TSHR (0.43) MEN1KMT2ATSHRKDM4EL3MBTL1
SCHEMBL19332261 0.78 MCL1 (0.36) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL17775142 0.75 TSHR (0.37) MEN1KMT2AALDH1A1TSHRRORC
SCHEMBL28064638 0.74 MCL1 (0.47) MEN1KMT2ATSHRRORCKDM4E
SCHEMBL19332440 0.74 USP2 (0.36) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL4351610 0.73 JAK2 (0.41) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1092586 0.73 KDM4E (0.67) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL30639179 0.73 KDM4E (0.67) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5799161 0.72 EGFR (0.41) KMT2AALDH1A1KDM4EL3MBTL1CYP3A4

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-105555763-B indole-carboxamide derivatives 豪夫迈·罗氏有限公司 2018-04-17 CN disclosed