SCHEMBL10600587

SCHEMBL10600587

C=C(C)C(=O)Nc1ccccc1.CCC(CC)=C(C)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TP53 P04637 1/20 0.40
GFER P55789 1/20 0.40
GPR174 Q9BXC1 1/20 0.39
KDM1A O60341 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL10344971 0.85 KDM4E (0.51) RXFP1TDP1ALDH1A1KDM4ENAPRT
SCHEMBL9011492 0.85 KDM4E (0.58) RXFP1TDP1ALDH1A1KDM4ENAPRT
SCHEMBL219147 0.81 KDM4E (0.66) RXFP1TDP1ALDH1A1KDM4ENAPRT
SCHEMBL8641350 0.79 MAPT (0.59) RXFP1TDP1ALDH1A1KDM4ENAPRT
Dimethylamine SCHEMBL10625504 0.78 KDM4E (0.61) RXFP1TDP1ALDH1A1KDM4ENAPRT
Aniline SCHEMBL9418488 0.77 ALDH1A1 (0.56) RXFP1TDP1ALDH1A1KDM4ENAPRT
Trimethylammonium SCHEMBL11436463 0.76 KDM4E (0.59) RXFP1TDP1ALDH1A1KDM4ENAPRT
SCHEMBL3712429 0.75 NAPRT (0.50) ALDH1A1KDM4ENAPRTHSD17B10GAA
SCHEMBL19501001 0.75 NPC1 (0.67) RXFP1TDP1ALDH1A1KDM4ENAPRT
SCHEMBL166821 0.75 MAPT (0.67) RXFP1TDP1ALDH1A1KDM4ENAPRT

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-0186494-B1 HEAT-DEVELOPABLE COLOR PHOTO-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1989-08-09 EP disclosed
US-4650748-A POLYMERIC DYES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-03-17 US disclosed