SCHEMBL4490119

SCHEMBL4490119

CCOc1ccccc1NC(=O)c1cc2c(NC(=O)c3cccc(Cl)c3)n[nH]c2s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 3/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.47
AHR P35869 1/20 0.46
RAB9A P51151 1/20 0.46
PARP1 P09874 1/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL2417552 0.90 MAPT (0.49) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2419071 0.85 JAK2 (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2421378 0.84 RAB9A (0.49) RXFP1MEN1KMT2AMAPTALDH1A1
SCHEMBL2414984 0.82 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL2414579 0.81 NPC1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2421337 0.80 JAK2 (0.52) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL2416483 0.80 MEN1 (0.53) RXFP1MEN1KMT2AMAPTALDH1A1
SCHEMBL2417220 0.80 MAPT (0.49) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2412480 0.80 NPC1 (0.64) RXFP1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2415770 0.80 JAK2 (0.47) ALDH1A1POLBNPC1RAB9A

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-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed