SCHEMBL28290962

SCHEMBL28290962

O=S(=O)(c1ccc(Br)c(F)c1)N1CCC(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
PKM P14618 1/20 0.42
PIP4K2A P48426 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 3/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
KIF18A Q8NI77 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL29859307 0.85 ALDH1A1 (0.50) PKMPIP4K2AHSD17B10NAMPTPIK3C3
SCHEMBL19989141 0.85 ALDH1A1 (0.50) PKMPIP4K2AHSD17B10NAMPTPIK3C3
SCHEMBL17394167 0.81 PIP4K2A (0.47) PIP4K2ANAMPTALDH1A1TSHRLMNA
SCHEMBL3024918 0.79 HSD17B10 (0.61) PKMHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL29130948 0.79 HSD17B10 (0.57) PKMHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL14501796 0.78 HSD17B10 (0.60) HSD17B10ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL19989429 0.77 ALDH1A1 (0.51) PKMHSD17B10KIF18AALDH1A1ALOX5AP
SCHEMBL29859296 0.77 ALDH1A1 (0.51) PKMHSD17B10KIF18AALDH1A1ALOX5AP
SCHEMBL2361303 0.77 ALOX5AP (0.42) PKMPIP4K2APIK3C3KIF18ACNR1
SCHEMBL25312484 0.77 MCOLN3 (0.50) HTR2AHTR2CPKMHSD17B10ALDH1A1

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-109715608-A The indazole compound used in tendon and/or ligament injury 诺华股份有限公司 2019-05-03 CN disclosed