SCHEMBL11796802

SCHEMBL11796802

Cc1cccc(NC(C)C#N)c1.Cc1cccc(NC(C)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 3/20 0.38
KCNH3 Q9ULD8 1/20 0.38
GRM5 P41594 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10624782 0.92 MAPT (0.46) CTSLCTSBCTSKPOLBNPSR1
SCHEMBL10996019 0.87 MAPT (0.50) POLBNPSR1MAPTHTTCYP1A2
SCHEMBL10989410 0.77 GRM5 (0.54) CTSLCTSBCTSKMAPTHTT
SCHEMBL967807 0.75 MAPT (0.46) CTSLCTSBCTSKPOLBNPSR1
SCHEMBL5993592 0.74 THRB (0.42) NPSR1MAPTHTTGAAALDH1A1
SCHEMBL28679508 0.74 MAPT (0.52) POLBNPSR1MAPTHTTCYP1A2
SCHEMBL10997322 0.73 CA1 (0.47) MAPTGAASMN1; SMN2IDO1ALDH1A1
SCHEMBL11309120 0.73 ALDH1A1 (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL632551 0.72 TDP1 (0.56) POLBNPSR1MAPTHTTCYP1A2
SCHEMBL31174454 0.72 TDP1 (0.56) POLBNPSR1MAPTHTTCYP1A2

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-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 US disclosed