SCHEMBL11524019

SCHEMBL11524019

CCC(=O)Nc1cccc(NC)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
POLB P06746 1/20 0.74
NR4A1 P22736 1/20 0.74
GAA P10253 3/20 0.67
KMT2A Q03164 4/20 0.66
LMNA P02545 3/20 0.66
MEN1 O00255 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
F2R P25116 1/20 0.59
CYP3A4 P08684 4/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 1/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.55
CYP2C9 P11712 1/20 0.54

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
SCHEMBL10970617 0.92 RAB9A (0.85) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11863928 0.86 RAB9A (0.70) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL13489913 0.85 POLB (0.54) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL13856564 0.85 POLB (1.00) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11871574 0.85 RAB9A (0.74) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11756097 0.84 POLB (0.72) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL13490051 0.84 ALDH1A1 (0.58) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL7932532 0.84 POLB (0.72) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL13986874 0.84 MEN1 (0.58) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11757044 0.84 RAB9A (0.77) RAB9APOLBNR4A1GAAKMT2A

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
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed