SCHEMBL18498554

SCHEMBL18498554

Cc1c(CC(Nc2ccccc2)C(=O)O)c2c([N+](=O)[O-])cc(N3CCOCC3)cc2n1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.44
ALDH1A1 P00352 9/20 0.44
MAPK1 P28482 4/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL18000151 0.83 MAPT (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL18509763 0.83 MAPT (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL31675773 0.79 MAPT (0.43) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL18498550 0.72 MAPT (0.37) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL19872670 0.69 LRRK2 (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20120047 0.69 PTGS2 (0.36) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18000137 0.69 CRHBP (0.40) MAPT
SCHEMBL18029101 0.69 CRHBP (0.40) MAPT
SCHEMBL18000346 0.68 MAPT (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL26333089 0.67 IKBKB (0.31) KDM4E

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
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO claimed