SCHEMBL7326113

SCHEMBL7326113

CCCCOc1ccc(-c2nn3c(-c4ccc(C(=O)O)cc4)cnc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.55
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 2/20 0.51
MKNK1 Q9BUB5 8/20 0.50
MKNK2 Q9HBH9 8/20 0.50
FYN P06241 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL6132721 0.98 RARB (0.59) RARBTP53TSHRPLA2G4BMKNK1
SCHEMBL6132847 0.91 MKNK1 (0.51) RARBTP53TSHRMKNK1MKNK2
SCHEMBL6133900 0.82 MKNK1 (0.45) RARBMKNK1MKNK2FYNCSNK2A2
SCHEMBL6132537 0.81 MKNK1 (0.52) TSHRMKNK1MKNK2FYN
SCHEMBL7321701 0.81 MKNK1 (0.61) MKNK1MKNK2FYN
SCHEMBL7324612 0.81 MKNK1 (0.61) MKNK1MKNK2FYN
SCHEMBL7318292 0.81 MKNK1 (0.61) MKNK1MKNK2FYN
SCHEMBL7324198 0.81 MKNK1 (0.61) MKNK1MKNK2FYN
SCHEMBL7322460 0.81 MKNK1 (0.53) MKNK1MKNK2FYN
SCHEMBL6539365 0.80 NR1H4 (0.70) RARBTP53TSHRPLA2G4BCSNK2A2

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-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed