SCHEMBL9812470

SCHEMBL9812470

CCCCCCCCN=C=NCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DNM1 Q05193 5/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A1 O15245 1/20 0.32

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
SCHEMBL9812561 1.00 NAAA (0.56) NAAACYP1A2CYP2D6TSHRTHRB
Hydrochloric Acid SCHEMBL28124752 0.98 NAAA (0.54) NAAACYP1A2CYP2D6TSHRTHRB
SCHEMBL18133507 0.97 CYP1A2 (0.58) NAAACYP1A2CYP2D6TSHRTHRB
SCHEMBL707888 0.92 CYP1A2 (0.62) NAAACYP1A2CYP2D6
SCHEMBL706895 0.92 CYP1A2 (0.62) NAAACYP1A2CYP2D6
SCHEMBL708799 0.92 CYP1A2 (0.62) NAAACYP1A2CYP2D6
SCHEMBL707889 0.92 CYP1A2 (0.62) NAAACYP1A2CYP2D6
SCHEMBL12325532 0.92 NAAA (0.64) NAAACYP1A2CYP2D6TSHRTHRB
SCHEMBL3791907 0.92 NAAA (0.64) NAAACYP1A2CYP2D6TSHRTHRB
SCHEMBL20822146 0.92 NAAA (0.64) NAAACYP1A2CYP2D6TSHRTHRB

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
EP-0416250-A2 N-acylurea and O-acylisourea derivatives of hyaluronic acid THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1991-03-13 EP claimed
EP-0416250-A2 N-acylurea and O-acylisourea derivatives of hyaluronic acid THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1991-03-13 EP disclosed