SCHEMBL21587440

SCHEMBL21587440

C=C(CCC)c1cc(F)c(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL21587423 0.84 GPR27 (0.34) LMNAMAPK1MAPTCASP1CASP7
SCHEMBL20619771 0.78 CD44 (0.33) LMNAGAAMAOAMAOB
SCHEMBL18609035 0.74 TSHR (0.36) MAOAMAOBALDH1A1
SCHEMBL29320334 0.73 LOXL2 (0.38) KMT2A
SCHEMBL23222675 0.71
SCHEMBL21729549 0.69 SLC6A2 (0.33) MAPK1ALDH1A1
SCHEMBL19311402 0.69 TRPA1 (0.38) MAPTKMT2AMAOAMAOBALDH1A1
SCHEMBL24633667 0.68 KDM4E (0.35) ALDH1A1
SCHEMBL7197694 0.67 MAOA (0.55) LMNAMAPK1KMT2AMAOAMAOB
SCHEMBL23891581 0.67 HTR7 (0.45) GAA

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-3412660-B1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO LTD (JP) 2020-11-18 EP disclosed
EP-3578557-A1 CHEMICAL PROCESS FOR PREPARING SPIROINDOLONES AND INTERMEDIATES THEREOF Novartis AG (CH) 2019-12-11 EP disclosed