SCHEMBL11346397

SCHEMBL11346397

Cc1cccc(CC(CN=C=O)N=C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
CTBP2 P56545 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
IDO1 P14902 2/20 0.36
CTSB P07858 5/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
KDM4E B2RXH2 1/20 0.33
CTSK P43235 1/20 0.33
PTGES O14684 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11490619 0.81 ACACB (0.34) CTBP2NR3C1PGRNR3C2IDO1
SCHEMBL693020 0.81 CYP1A2 (0.37) TAAR1MEN1KMT2A
SCHEMBL31158081 0.76 TAAR1 (0.47) TAAR1CTBP2IDO1HRH3POLB
SCHEMBL1023733 0.76 TAAR1 (0.47) TAAR1CTBP2IDO1HRH3POLB
M-Xylene SCHEMBL10636076 0.68 ACHE (0.52) TAAR1CTBP2IDO1MEN1KMT2A
SCHEMBL15178171 0.68 NR3C1 (0.41) TAAR1CTBP2NR3C1PGRNR3C2
SCHEMBL28173901 0.68 MME (0.43) CTSBCTSLCTSSCTSKPTGES
SCHEMBL23121590 0.67 PNMT (0.43) TAAR1
SCHEMBL635206 0.67 PNMT (0.43) TAAR1
SCHEMBL28103077 0.67 CYP1A2 (0.36) TAAR1

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
US-4255551-A EXTRUDING WITH A SOLID HYDROXYL GROUP-CONTAINING POLYESTER, COOLING, MILLING, SCREENING; STORAGE STABILITY CHEMISCHE WERKE HULS AG (DE) 1981-03-10 US disclosed
US-4242248-A WEATHER RESISTANT COIL COATING CHEMISCHE WERKE HULS AG (DE) 1980-12-30 US disclosed