SCHEMBL9502856

SCHEMBL9502856

COCc1cc(C2CC2)nc(Nc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 9/20 0.46
VSIR Q9H7M9 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL9501348 0.85 ALDH1A1 (0.44) KCNH3VSIRALDH1A1MAPTMEN1
SCHEMBL9499662 0.82 ALDH1A1 (0.49) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL9499269 0.82 RECQL (0.45) KCNH3VSIRALDH1A1MAPTMEN1
SCHEMBL9499283 0.82 KCNH3 (0.41) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL9501015 0.82 KCNH3 (0.41) KCNH3VSIRALDH1A1MAPTMEN1
SCHEMBL9017639 0.81 VSIR (0.50) KCNH3VSIRALDH1A1MAPTMEN1
SCHEMBL13547969 0.80 KCNH3 (0.50) KCNH3VSIRALDH1A1MAPTMEN1
SCHEMBL9505703 0.80 TAAR1 (0.54) KCNH3VSIRALDH1A1MAPTMEN1
SCHEMBL13547970 0.79 VSIR (0.51) KCNH3VSIRALDH1A1MAPTSMN1; SMN2
Cyprodinil SCHEMBL29421756 0.79 TAAR1 (0.55) KCNH3ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295210-B1 MICROBICIDES CIBA-GEIGY AG (CH) 1993-08-04 EP claimed
EP-0295210-A1 Microbicides CIBA-GEIGY AG (CH) 1988-12-14 EP claimed
EP-0295210-B1 MICROBICIDES CIBA-GEIGY AG (CH) 1993-08-04 EP disclosed
EP-0310550-B1 PESTICIDE CIBA-GEIGY AG (CH) 1993-05-26 EP disclosed
US-5153200-A Insecticides, microbiocides CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
CN-1064270-A Harmful insect and method of microorganism on the controlling plant CIBA GEIGY AG (CH) 1992-09-09 CN disclosed
CN-1017993-B Process for preparing anilinopyrimidine derivatives CIBA GEIGY AG (CH) 1992-08-26 CN disclosed
US-4997941-A Insecticides for plant protection, also used as fungicides CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
US-4931560-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4897396-A AGRICULTURAL INSECTICIDES, PESTICIDES AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
CN-1032441-A Pesticide CIBA GEIGY AG (CH) 1989-04-19 CN disclosed
EP-0310550-A1 Pesticide CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed
EP-0295210-A1 Microbicides CIBA-GEIGY AG (CH) 1988-12-14 EP disclosed