Urea

Urea

SCHEMBL8887503

C1=NOc2ccccc2-c2ccccc21.NC(N)=O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.40
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
BCAT2 O15382 1/20 0.31
IKBKB O14920 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SCN4A P35499 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
HSP90AA1 P07900 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL9268163 0.93 TRPA1 (0.38) TRPA1ATMIKBKB
SCHEMBL11830486 0.90 TRPA1 (0.35) TRPA1ATMMAPK1HSP90AA1
SCHEMBL5944362 0.73 ALDH1A1 (0.44) TRPA1LMNATSHR
Urea SCHEMBL8887498 0.72 KDM4E (0.35) TRPA1ATMLMNATSHRMAPK1
SCHEMBL8804196 0.72 TRPA1 (0.36) TRPA1KEAP1
SCHEMBL6173883 0.71 TRPA1 (0.39) TRPA1ATMLMNATSHR
SCHEMBL10483802 0.69 MYC (0.42) LMNATSHR
SCHEMBL4748281 0.68 TRPA1 (0.34) TRPA1ATM
SCHEMBL19859170 0.68 KEAP1 (0.33) TRPA1ATMKEAP1NFE2L2BCAT2
SCHEMBL9268154 0.67 KDM4E (0.33) TRPA1ATMLMNATSHRMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661146-A ANALGESICS G.D. SEARLE & CO. (US) 1997-08-26 US disclosed