SCHEMBL28296420

SCHEMBL28296420

[CH2]C(c1ccsc1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ ACKR3 P25106 1/20 0.31

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
SCHEMBL5002209 0.75 — —
SCHEMBL3888513 0.74 — —
SCHEMBL1311493 0.70 — —
SCHEMBL9325464 0.70 — —
SCHEMBL1992668 0.69 ALOX5 (0.41) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15743821 0.69 KDM4E (0.55) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19926247 0.69 CHRNB2 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29433062 0.69 CHRNB2 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29433052 0.69 CHRNB2 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30295390 0.69 ALOX5 (0.47) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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
CN-109843379-A Substituted ureas and methods of making and using the same 梅比斯发现公司 2019-06-04 — — CN disclosed
Send feedback