SCHEMBL9422845

SCHEMBL9422845

N#CC1(C(O)(Cc2ccccc2Cl)Cn2cncn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 10/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP51A1 Q16850 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FDPS P14324 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL9422528 0.87 HSP90AA1 (0.41) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
Prothioconazole-Desthio SCHEMBL2491761 0.84 HSP90AA1 (0.45) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
Prothioconazole-Desthio SCHEMBL29405397 0.84 HSP90AA1 (0.45) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL8937971 0.83 HSP90AA1 (0.44) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL9682964 0.81 HSP90AA1 (0.42) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL28701737 0.81 HSP90AA1 (0.42) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL9667126 0.80 HSP90AA1 (0.41) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL9009503 0.80 HSP90AA1 (0.41) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL9590191 0.78 HSP90AA1 (0.41) HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL9367709 0.78 HSP90AA1 (0.46) HSP90AA1CYP3A4ALDH1A1CYP19A1LMNA

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-5334608-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-08-02 US claimed