SCHEMBL9274347

SCHEMBL9274347

CCC(C)Sc1ccc(OCCSc2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 8/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL9274483 0.86 RAB9A (0.65) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL9270577 0.82 NPC1 (0.49) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL9262825 0.79 NPC1 (0.40) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL10789684 0.75 LTA4H (0.44) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL256693 0.74 EHMT2 (0.48) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL9265556 0.73 MAPT (0.41) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL9268024 0.72 NR1I2 (0.49) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL9856294 0.72 PPARG (0.39) SMN1; SMN2ALDH1A1ALOX5PPARGPPARA
SCHEMBL9856269 0.72 TAAR1 (0.44) SMN1; SMN2CYP1A2CYP2D6CYP19A1ALOX5
SCHEMBL9268482 0.72 PPARG (0.42) ALOX5PPARGPPARA

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-5389651-A Nitrogen-containing heterocyclyl-oxy and -thio compounds useful as pesticides SANDOZ LTD. (CH) 1995-02-14 US disclosed