SCHEMBL30977682

SCHEMBL30977682

CCCC(C)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.67
TSHR P16473 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
KDM4E B2RXH2 1/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 4/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.53
XBP1 P17861 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL19592439 1.00 HSD17B10 (0.67) HSD17B10TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL967784 0.89 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL21140743 0.83 HSD17B10 (0.62) HSD17B10TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5561958 0.83 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL31093984 0.83 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10726174 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5133570 0.81 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL963688 0.81 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19592326 0.81 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10731114 0.81 ALDH1A1 (0.68) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2

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
CN-113292128-B Apparatus and method for desalting water by thermal deionization and liquid phase ion extraction 艾迪奥尼克斯公司 2024-07-05 CN disclosed