SCHEMBL9547541

SCHEMBL9547541

CN(C(=O)Nc1ccco1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
KDM4C Q9H3R0 1/20 0.41
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
MAPT P10636 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
ALOX5 P09917 1/20 0.35
CDC7 O00311 1/20 0.35
EEF2K O00418 1/20 0.35
PLK4 O00444 1/20 0.35
DYRK3 O43781 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL3577961 0.74 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ATP53KMT2ALMNA
SCHEMBL1694938 0.74 LMNA (0.41) SMN1; SMN2RAB9ATP53KMT2ALMNA
SCHEMBL13713225 0.74 RIPK1 (0.43) SMN1; SMN2RAB9ATP53KMT2ALMNA
SCHEMBL23012352 0.73 TAAR1 (0.41) SMN1; SMN2RAB9ATP53KMT2ALMNA
SCHEMBL23012378 0.73 ALDH1A1 (0.36) SMN1; SMN2RAB9ATP53KMT2ALMNA
SCHEMBL9547540 0.73 CES2 (0.39) SMN1; SMN2RAB9ATP53KMT2ALMNA
Hydrochloric Acid SCHEMBL5352593 0.73 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ATP53KMT2ALMNA
SCHEMBL9483989 0.73 ALOX5 (0.47) SMN1; SMN2RAB9ATP53KMT2ALMNA
SCHEMBL12191262 0.72
SCHEMBL11146621 0.72 SMN1; SMN2 (0.40) SMN1; SMN2KDM4CRAB9ATP53KMT2A

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed