SCHEMBL9155505

SCHEMBL9155505

CN(C(=O)CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9157349 0.92 ALDH1A1 (0.44) ALDH1A1HSD17B10GAATDP1MEN1
SCHEMBL9153633 0.89 ALDH1A1 (0.47) ALDH1A1GAATDP1MEN1NPC1
SCHEMBL9152750 0.86 ALDH1A1 (0.46) ALDH1A1GAATDP1MEN1NPC1
SCHEMBL9158369 0.86 ALDH1A1 (0.52) ALDH1A1HSD17B10GAATDP1MEN1
SCHEMBL8860020 0.83 ALDH1A1 (0.55) ALDH1A1GAATDP1MEN1NPC1
SCHEMBL9153600 0.83 ALDH1A1 (0.45) ALDH1A1GAATDP1MEN1NPC1
SCHEMBL9154411 0.81 GABRP (0.41) ALDH1A1TSHRGLA
SCHEMBL9154498 0.81 ALDH1A1 (0.47) ALDH1A1GAATDP1MEN1NPC1
SCHEMBL9132781 0.79 RAB9A (0.42) ALDH1A1GAATDP1NPC1RAB9A
SCHEMBL9152697 0.79 ALDH1A1 (0.50) ALDH1A1GAATDP1MEN1NPC1

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed