SCHEMBL10675729

SCHEMBL10675729

CCc1ccc2c(c1)C(c1ccccc1F)=[N+]([O-])CC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
PGR P06401 1/20 0.38
PARP1 P09874 1/20 0.36
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
S1PR4 O95977 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL11319239 0.82 LMNA (0.57) LMNAGABRA1GABRA5GABRA3GABRA2
SCHEMBL11399009 0.82 GABRA1 (0.57) SMN1; SMN2LMNAMAPTALDH1A1MAPK1
SCHEMBL7306805 0.74 GABRA1 (0.69) LMNAGABRA1GABRA5GABRA3GABRA2
SCHEMBL7548596 0.72 DAO (0.40) SMN1; SMN2LMNAMAPTALDH1A1RAB9A
SCHEMBL7551382 0.70 NSD2 (0.40) LMNAMAPTALDH1A1MEN1TP53
SCHEMBL6527541 0.70 GABRA1 (0.55) SMN1; SMN2LMNAMAPTGABRA1GABRA5
SCHEMBL32681120 0.70 GABRA1 (0.55) SMN1; SMN2LMNAMAPTGABRA1GABRA5
SCHEMBL7548112 0.70 MEN1 (0.33) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL11374130 0.67 CHRM1 (0.41) LMNAMAPK1HSD17B10HPGD
SCHEMBL2846056 0.66 KMT2A (0.47) SMN1; SMN2LMNAMAPTALDH1A1MAPK1

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-4739049-A Phosphorylation of cyclic amides HOFFMANN-LA ROCHE INC. (US) 1988-04-19 US disclosed