SCHEMBL9727170

SCHEMBL9727170

Cc1[nH]n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 11/20 0.39
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
GABRA2 P47869 9/20 0.36
GABRB2 P47870 9/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRP O00591 4/20 0.33
GABRD O14764 4/20 0.33
GABRA1 P14867 4/20 0.33
GABRB1 P18505 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRA4 P48169 4/20 0.33
GABRE P78334 4/20 0.33
GABRA6 Q16445 4/20 0.33
GABRG1 Q8N1C3 4/20 0.33
GABRG3 Q99928 4/20 0.33
GABRQ Q9UN88 4/20 0.33

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
SCHEMBL9727121 0.84 SMN1; SMN2 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9727138 0.73 ALDH1A1 (0.49) GABRB3CDK4CCND1GABRA2GABRB2
SCHEMBL9704377 0.70 GABRB3 (0.38) GABRB3CDK4CCND1GABRA2GABRB2
SCHEMBL424091 0.70 ALDH1A1 (0.44) GABRB3GABRA2GABRB2MEN1KMT2A
SCHEMBL11687030 0.70 ALDH1A1 (0.53) MEN1KMT2ARAB9ASMN1; SMN2HTT
SCHEMBL9211808 0.69 GABRB3 (0.48) GABRB3CDK4CCND1GABRA2GABRB2
SCHEMBL3202450 0.69 GABRB3 (0.48) GABRB3CDK4CCND1GABRA2GABRB2
SCHEMBL9530253 0.68 GABRB3 (0.40) GABRB3CDK4CCND1GABRA2GABRB2
SCHEMBL11685795 0.68 LMNA (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10565417 0.68 ALDH1A1 (0.48) GABRB3CDK4CCND1GABRA2GABRB2

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-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5028717-A Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-4909827-A Containing a C6-10 aryl group substituted in position 1 BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed