SCHEMBL21869896

SCHEMBL21869896

CCS(=O)(=O)c1cc(NC(C)=O)c(C)cc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.37
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ RORC P51449 12/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ CSF1R P07333 1/20 0.32

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
SCHEMBL21869851 0.92 CTPS1 (0.35) RORCCYP2C9DDR1
SCHEMBL21869887 0.92 CTPS1 (0.34) S1PR1RORCCYP2C9CYP3A4DDR1
SCHEMBL17832721 0.91 PIK3CA (0.35) S1PR1JAK1TYK2RORCCYP2C9
SCHEMBL17824402 0.91 JAK1 (0.34) S1PR1JAK1TYK2RORCCYP2C9
SCHEMBL19684781 0.86 S1PR1 (0.32) S1PR1
SCHEMBL19684786 0.85 S1PR1 (0.31) S1PR1
SCHEMBL17824423 0.83 MAPT (0.32) RORCCYP2C9CYP3A4
SCHEMBL29814438 0.82 BAZ2B (0.33) S1PR1DDR1
SCHEMBL20632927 0.82 BAZ2B (0.33) S1PR1DDR1
SCHEMBL19684513 0.81 LRRK2 (0.33) S1PR1RORC

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-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 — — EP disclosed
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