SCHEMBL9596390

SCHEMBL9596390

Oc1c[nH]c(CCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
RNASEH1 O60930 1/20 0.45
DAO P14920 3/20 0.45
TAAR1 Q96RJ0 1/20 0.44
KCNH2 Q12809 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ALPL P05186 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
QPCT Q16769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8754414 0.83 NR1H2 (0.47) RAB9ANPC1RNASEH1DAOTAAR1
SCHEMBL10704195 0.78 RAB9A (0.46) RAB9ANPC1DAOTAAR1KCNH2
SCHEMBL8958095 0.78 RAB9A (0.46) RAB9ANPC1RNASEH1DAOTAAR1
SCHEMBL948426 0.77 RNASEH1 (0.49) RAB9ANPC1RNASEH1DAOTAAR1
SCHEMBL12068347 0.76 GSK3B (0.49) RAB9ANPC1RNASEH1DAOTAAR1
SCHEMBL28845716 0.74 RAB9A (0.42) RAB9ANPC1DAOTAAR1KCNH2
SCHEMBL28356850 0.74 SMN1; SMN2 (0.48) RAB9ANPC1RNASEH1DAOTAAR1
SCHEMBL27608302 0.74 RAB9A (0.42) RAB9ANPC1RNASEH1DAOTAAR1
SCHEMBL4718005 0.73 DAO (0.44) RAB9ANPC1RNASEH1DAOTAAR1
SCHEMBL612620 0.72 CHRM1 (0.44) ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216007-A Fungicides ROHM AND HAAS COMPANY (US) 1993-06-01 US disclosed
EP-0076628-A2 Novel substituted imidazoles and triazoles, fungicidal compositions containing them and the use of the novel compounds for combating fungi ROHM AND HAAS COMPANY (US) 1983-04-13 EP disclosed