SCHEMBL9749866

SCHEMBL9749866

O=[N+]([O-])CCc1ccc(OCc2ccccc2)c2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
BRD4 O60885 6/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 3/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL9749973 0.81 LTA4H (0.68) LTA4HPLA2G2ATRPM8BRD4MAPT
SCHEMBL8303620 0.78 LTA4H (0.53) LTA4HPLA2G2ATRPM8BRD4MAPT
SCHEMBL10685914 0.75 NPC1 (0.41) LTA4HPLA2G2ATRPM8BRD4MAPT
SCHEMBL9749338 0.75 MAPT (0.55) LTA4HPLA2G2ATRPM8BRD4MAPT
SCHEMBL9749330 0.75 MAPT (0.55) LTA4HPLA2G2ATRPM8BRD4MAPT
SCHEMBL10679463 0.75 BTK (0.42) LTA4HPLA2G2ATRPM8BRD4MAPT
SCHEMBL9749300 0.74 SRD5A2 (0.41) BRD4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9749833 0.73 SRD5A2 (0.39) TRPM8MAPTSMN1; SMN2LMNAHTT
SCHEMBL8303606 0.72 LTA4H (0.46) LTA4HPLA2G2ATRPM8BRD4MAPT
SCHEMBL3621324 0.72 LTA4H (0.46) LTA4HPLA2G2ATRPM8BRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266349-B1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-18 EP claimed
EP-0266349-B1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-18 EP disclosed
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