SCHEMBL9749338

SCHEMBL9749338

O=[N+]([O-])C=Cc1ccc(OCc2ccccc2)c2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
NPSR1 Q6W5P4 4/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HPGD P15428 3/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 4/20 0.50
ALOX12 P18054 1/20 0.50
NTSR1 P30989 1/20 0.50
CCR6 P51684 1/20 0.50
MCL1 Q07820 1/20 0.50
TLR4 O00206 5/20 0.46
TLR2 O60603 5/20 0.46
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
HSP90AA1 P07900 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL9749330 1.00 MAPT (0.55) MAPTNPSR1LMNASMN1; SMN2NPC1
SCHEMBL8304176 0.81 L3MBTL1 (0.48) MAPTSMN1; SMN2NPC1RAB9AMAOA
SCHEMBL30130381 0.78 MAPT (0.58) MAPTNPSR1LMNASMN1; SMN2NPC1
SCHEMBL19693006 0.78 MAPT (0.58) MAPTNPSR1LMNASMN1; SMN2NPC1
SCHEMBL30130382 0.78 MAPT (0.58) MAPTNPSR1LMNASMN1; SMN2NPC1
SCHEMBL8305578 0.77 MAP3K7 (0.52) MAPTHPGDHTTALDH1A1KDM4E
SCHEMBL8305581 0.77 MAP3K7 (0.52) MAPTHPGDHTTALDH1A1KDM4E
SCHEMBL27947570 0.77 CCNB2 (0.63) MAPTNPSR1LMNASMN1; SMN2NPC1
SCHEMBL9749866 0.75 LTA4H (0.46) MAPTNPSR1LMNASMN1; SMN2NPC1
SCHEMBL10679463 0.74 BTK (0.42) MAPTNPSR1LMNASMN1; SMN2NPC1

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 3 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 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