SCHEMBL9547533

SCHEMBL9547533

Cc1ccccc1N(C(=O)N(c1ccccc1C)c1ccccc1C)c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
TSHR P16473 3/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL8779541 0.84 TRPM8 (0.51) NPSR1LMNACYP3A4TRPM8HSD17B1
SCHEMBL22917037 0.84 LMNA (0.53) NPSR1LMNACYP3A4TRPM8HSD17B1
SCHEMBL1954826 0.82 SIGMAR1 (0.44) NPSR1LMNACYP3A4TRPM8HSD17B1
SCHEMBL12550525 0.79 ALDH1A1 (0.53) LMNACYP3A4TRPM8HSD17B1HSD17B2
SCHEMBL23031991 0.79 LMNA (0.49) NPSR1LMNACYP3A4TRPM8TSHR
SCHEMBL5396721 0.79 SIGMAR1 (0.42) NPSR1LMNACYP3A4TRPM8HSD17B1
SCHEMBL11219021 0.79 TRPM8 (0.47) NPSR1LMNATRPM8HSD17B1HSD17B2
SCHEMBL2092543 0.79 TRPM8 (0.51) NPSR1LMNACYP3A4TRPM8TSHR
SCHEMBL23032197 0.79 CYP3A4 (0.43) NPSR1LMNACYP3A4TRPM8HSD17B1
SCHEMBL30375032 0.77 TP53 (0.59) NPSR1LMNACYP3A4TRPM8TSHR

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 4 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
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed