SCHEMBL7804643

SCHEMBL7804643

Cc1cc(C)c(-c2c(O)sc(-c3ccccc3)nc2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL812067 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL13527170 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL9883892 0.88 TRPM8 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2RARA
SCHEMBL7814183 0.86 APP (0.45) ALDH1A1MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL8989405 0.86 TRPM8 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10309270 0.84 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL8989480 0.84 APEX1 (0.38) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL15450056 0.83 CDC7 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2RARA
SCHEMBL14432142 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL8989402 0.83 MAPT (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565450-A PESTICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US claimed
EP-0675882-B1 5-ARYL-1,3-THIAZINE DERIVATIVES, MANUFACTURE THEREOF AND USE AS PESTICIDES BAYER AG (DE) 2001-11-14 EP disclosed
US-5565450-A PESTICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed