SCHEMBL9729598

SCHEMBL9729598

COC(C)Cc1c(F)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2A13 Q16696 1/20 0.40

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
SCHEMBL9729259 0.87 SMN1; SMN2 (0.35) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL6883141 0.82 TAAR1 (0.55) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL2222710 0.79 TAAR1 (0.56) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL2428955 0.79 GAA (0.53) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL8489211 0.74 TAAR1 (0.55) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL18371893 0.74 TAAR1 (0.50) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL19099315 0.73 TAAR1 (0.46) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL19099544 0.72 TAAR1 (0.45) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL8293515 0.71 TAAR1 (0.61) TAAR1GAASMN1; SMN2KMT2AHPGD
SCHEMBL8292755 0.71 TAAR1 (0.61) TAAR1GAASMN1; SMN2KMT2AHPGD

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed