SCHEMBL30545014

SCHEMBL30545014

NN(C(=O)C(F)F)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FSCN1 Q16658 1/20 0.47
▸ TSHR P16473 3/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CYP3A4 P08684 4/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ EPHX1 P07099 1/20 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
SCHEMBL9769560 0.83 FSCN1 (0.51) FSCN1TSHRCASP1SMN1; SMN2MAPT
SCHEMBL7612739 0.77 FSCN1 (0.66) FSCN1TSHRCASP1SMN1; SMN2MAPT
SCHEMBL11248092 0.75 FSCN1 (0.57) FSCN1TSHRCASP1SMN1; SMN2MAPT
SCHEMBL7710336 0.72 FSCN1 (0.44) FSCN1TSHRCASP1SMN1; SMN2MAPT
SCHEMBL8196854 0.68 FSCN1 (0.47) FSCN1TSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL10485955 0.67 FSCN1 (0.56) FSCN1TSHRCASP1SMN1; SMN2MAPT
SCHEMBL653173 0.67 FSCN1 (0.51) FSCN1TSHRCASP1SMN1; SMN2MAPT
SCHEMBL30545003 0.67 POLB (0.35) TSHRKDM4EALDH1A1HSD17B10TP53
SCHEMBL1432108 0.66 FSCN1 (0.55) FSCN1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL10579443 0.66 TSHR (0.59) TSHRCASP1SMN1; SMN2MAPTKDM4E

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-116655536-A Class N 1 -aryl-3-fluoroalkyl-5-fluoropyrazole compound, and preparation method and application thereof 天津大学 2023-08-29 — — CN disclosed
Send feedback