SCHEMBL11200731

SCHEMBL11200731

CCCCCCCCCCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.53
SOAT2 O75908 3/20 0.53
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
PLA2G1B P04054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CETP P11597 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL11874577 1.00 SOAT1 (0.53) SOAT1SOAT2TSHRLMNAKMT2A
SCHEMBL11339863 0.95 TSHR (0.48) SOAT1SOAT2TSHRLMNAKMT2A
SCHEMBL10992811 0.90 TSHR (0.50) TSHRLMNAKMT2ANPSR1NPC1
SCHEMBL11863478 0.86 TSHR (0.53) TSHRLMNAKMT2ANPC1RAB9A
SCHEMBL10336955 0.85 CA1 (0.44) SOAT1SOAT2SMN1; SMN2EPHX2KDM4E
SCHEMBL11772863 0.84 SMN1; SMN2 (0.46) SOAT1SOAT2TSHRLMNAKMT2A
SCHEMBL11201758 0.81 ALKBH5 (0.48) SOAT1SOAT2TSHRLMNAKMT2A
SCHEMBL11326057 0.80 TSHR (0.50) TSHRLMNAKMT2ANPSR1NPC1
SCHEMBL11869523 0.80 GAA (0.48) NPC1SMN1; SMN2EPHX2KDM4EALDH1A1
SCHEMBL7532292 0.80 POLB (0.54) SOAT1SOAT2LMNAKMT2ANPSR1

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-4387159-A Light sensitive, color photographic silver halide compositions with DIR-couplers VEB FILMFABRIK WOLFEN (DD) 1983-06-07 US disclosed
US-4286054-A DYESTUFFS, DEVELOPMENT INHIBITOR RELEASING VEB FILMFABRIK WOLFEN (DD) 1981-08-25 US disclosed