SCHEMBL10679463

SCHEMBL10679463

C=C(c1ccc(OCc2ccccc2)c2[nH]ccc12)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.42
BRD4 O60885 6/20 0.42
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 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
SCHEMBL8307738 0.77 BRD4 (0.48) BTKBRD4CTSVCTSLMAPT
SCHEMBL11083877 0.77 SGMS2 (0.55) CTSVCTSLMAPTL3MBTL1NPC1
SCHEMBL9749866 0.75 LTA4H (0.46) BTKBRD4MAPTSMN1; SMN2L3MBTL1
SCHEMBL9749338 0.74 MAPT (0.55) BRD4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL9749330 0.74 MAPT (0.55) BRD4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL10685914 0.74 NPC1 (0.41) BTKBRD4MAPTSMN1; SMN2L3MBTL1
SCHEMBL8303620 0.72 LTA4H (0.53) BTKBRD4MAPTSMN1; SMN2L3MBTL1
SCHEMBL31211593 0.72 CTSV (0.52) CTSVCTSLMAPTTDP1L3MBTL1
SCHEMBL8303606 0.72 LTA4H (0.46) BRD4MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL27527029 0.72 LTA4H (0.46) BRD4CTSVCTSLMAPTSMN1; SMN2

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
EP-0266349-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES. SCHERING AG (DE) 1988-05-11 EP disclosed
WO-1987000522-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1987-01-29 WO disclosed