SCHEMBL16795154

SCHEMBL16795154

Oc1cc(Cl)cc(CNC2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.49
PABPC1 P11940 1/20 0.49
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
CXCR4 P61073 1/20 0.41
HDAC1 Q13547 1/20 0.41
OPRK1 P41145 1/20 0.41
MITF O75030 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL26268982 0.86 POLB (0.62) POLBALDH1A1TSHRPABPC1HRH3
Hydrochloric Acid SCHEMBL31567098 0.84 POLB (0.66) POLBALDH1A1TSHRPABPC1HRH3
SCHEMBL16795291 0.83 CARM1 (0.47) POLBMEN1KMT2AMITF
SCHEMBL16795306 0.80 CARM1 (0.47) HRH3MEN1KMT2A
SCHEMBL9667976 0.75 POLB (0.62) POLBALDH1A1HRH3MEN1KMT2A
SCHEMBL5680610 0.73 ALDH1A1 (0.59) POLBALDH1A1PABPC1HRH3KMT2A
SCHEMBL11112228 0.73 POLB (0.96) POLBALDH1A1HRH3MEN1KMT2A
SCHEMBL16795141 0.73 CXCR3 (0.51) MEN1KMT2A
SCHEMBL9720678 0.73 HRH3 (0.69) POLBALDH1A1PABPC1HRH3MEN1
SCHEMBL1518347 0.72 POLB (0.46) POLBALDH1A1TSHRHRH3MEN1

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed