SCHEMBL13998590

SCHEMBL13998590

Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)N(C)C)n(-c2ncccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 11/20 0.43
▸ NTRK1 P04629 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL12528144 0.94 F10 (0.42) F10MEN1KMT2A
SCHEMBL10028781 0.91 NTRK1 (0.35) F10NTRK1MEN1KMT2A
SCHEMBL10028783 0.90 DHODH (0.41) F10NTRK1MEN1KMT2A
SCHEMBL12528237 0.89 NTRK1 (0.39) F10NTRK1MEN1KMT2ATSHR
SCHEMBL10028786 0.87 F10 (0.39) F10MEN1KMT2A
SCHEMBL12528592 0.84 DHODH (0.43) F10NTRK1MEN1KMT2A
SCHEMBL950260 0.83 DHODH (0.41) NTRK1KMT2A
SCHEMBL13998637 0.83 ALDH1A1 (0.33) NTRK1MEN1KMT2A
SCHEMBL12911819 0.82 F10 (0.38) F10MEN1KMT2A
SCHEMBL12528142 0.82 KMT2A (0.40) F10NTRK1MEN1KMT2ATSHR

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
EP-1686857-B1 COMBINATION OF ACTIVE SUBSTANCES WITH INSECTICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2008-12-10 — — EP disclosed
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