SCHEMBL9547649

SCHEMBL9547649

NC(=O)N(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
ACHE P22303 1/20 0.47
TSPO P30536 1/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 2/20 0.44
MCL1 Q07820 1/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
PDK1 Q15118 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL1385749 0.81 ALDH1A1 (0.62) TSPONPC1ALDH1A1HTTRAB9A
SCHEMBL6110886 0.81 ALDH1A1 (0.50) ACHENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6112331 0.81 POLB (0.51) ACHEALDH1A1HTTPDK1
SCHEMBL27605169 0.81 ALDH1A1 (0.44) NPC1ALDH1A1RAB9AGLASMN1; SMN2
Hydrochloric Acid SCHEMBL27540694 0.80 NPC1 (0.61) TSPONPC1ALDH1A1HTTRAB9A
SCHEMBL27323388 0.78 NPC1 (0.50) TSPONPC1ALDH1A1HTTRAB9A
SCHEMBL3053571 0.77 MAPK14 (0.63) PTGESALOX5ACHENPC1ALDH1A1
SCHEMBL27499854 0.77 PDK1 (0.43) ACHETSPONPC1ALDH1A1HTT
SCHEMBL7695802 0.76 MAPK14 (0.53) PTGESALOX5NPC1ALDH1A1HTT
SCHEMBL2162478 0.75 ROCK1 (0.53) NPC1ALDH1A1HTTRAB9APAX8

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed