SCHEMBL24313259

SCHEMBL24313259

Clc1cccc(NC2CCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
EPHX2 P34913 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
EPHX1 P07099 2/20 0.54
TSHR P16473 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
FADS1 O60427 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
CTSV O60911 1/20 0.51
PLAT P00750 1/20 0.51
CTSL P07711 1/20 0.51
CTSH P09668 1/20 0.51

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
SCHEMBL7793295 0.96 LMNA (0.58) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL3477718 0.94 EPHX2 (0.60) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL4176467 0.92 FADS1 (0.54) LMNAEPHX2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL16345623 0.90 FADS1 (0.53) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL4139369 0.84 HTR6 (0.56) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL2094908 0.84 FADS1 (0.48) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL7794546 0.84 PIM1 (0.48) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL1496158 0.82 IDH2 (0.48) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL911849 0.82 SLC6A4 (0.46) LMNAEPHX2MEN1KMT2ANPC1
SCHEMBL12903150 0.82 SLC6A4 (0.46) LMNAEPHX2MEN1KMT2ANPC1

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-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed