SCHEMBL30965893

SCHEMBL30965893

Cc1cc(C(F)(F)F)ccc1NC(=O)CCl

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
PARP1 P09874 1/20 0.45

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
SCHEMBL25037265 1.00 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL18763038 0.89 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL29560526 0.89 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL25037416 0.84 MEN1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL31082029 0.84 KIF11 (0.51) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL30037605 0.84 MEN1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL25037396 0.84 ACHE (0.57) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL25036878 0.84 MEN1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL940712 0.84 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL30038796 0.84 MEN1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1KMT2A

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
WO-2024120378-A2 TRIAZOLE COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-13 WO disclosed