SCHEMBL21034644

SCHEMBL21034644

CC(C)(Cc1ccc(F)cc1)NSF

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CASR P41180 3/20 0.39
TAAR1 Q96RJ0 3/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
HPGD P15428 1/20 0.38
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
IDO1 P14902 1/20 0.35
KIF11 P52732 2/20 0.35
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MAOB P27338 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
SCHEMBL10087249 0.78 LMNA (0.63) LOXL2KDM4ECASRTAAR1LMNA
SCHEMBL10087170 0.73 CASR (0.44) LOXL2KDM4ECASRTAAR1LMNA
SCHEMBL72988 0.72 ESR1 (0.58) LOXL2KDM4ETAAR1LMNAHPGD
SCHEMBL2615503 0.72 ESR1 (0.58) LOXL2KDM4ETAAR1LMNAHPGD
SCHEMBL8824455 0.72 KDM4E (0.42) KDM4ECASRTAAR1LMNACYP2D6
SCHEMBL21034645 0.70 HPGD (0.42) KDM4ECASRTAAR1LMNACYP2D6
SCHEMBL8384266 0.70 KDM4E (0.53) KDM4ECASRLMNADPP4HPGD
SCHEMBL9718295 0.70 KDM4E (0.57) KDM4ELMNACYP2D6DPP4HPGD
SCHEMBL4661331 0.69 LOXL2 (0.50) LOXL2TAAR1LMNACYP2D6HPGD
SCHEMBL25343157 0.69 LOXL2 (0.48) LOXL2TAAR1LMNAHPGDIDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715342-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-09-30 EP disclosed
WO-2019101132-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 2019-05-31 WO disclosed