SCHEMBL7897191

SCHEMBL7897191

N#Cc1ccc(SCc2ccccc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
MAOA P21397 5/20 0.57
CTSB P07858 3/20 0.50
CCR2 P41597 1/20 0.46
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
EGLN2 Q96KS0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL20378500 0.84 MAOB (0.50) MAOBMAOACTSBL3MBTL1EGLN2
SCHEMBL20743859 0.81 MAOA (0.57) MAOBMAOACTSBCCR2POLB
SCHEMBL23599227 0.81 MAOA (0.57) MAOBMAOACTSBCCR2POLB
SCHEMBL9933158 0.81 POLB (0.59) MAOBMAOACTSBCCR2POLB
SCHEMBL21172227 0.81 MAOB (0.53) MAOBMAOACTSBCCR2POLB
SCHEMBL31726653 0.79 MAOB (0.54) MAOBMAOACTSBCCR2POLB
SCHEMBL31726250 0.79 MAOA (0.50) MAOBMAOACTSBCCR2POLB
SCHEMBL15123283 0.78 POLB (0.59) MAOBMAOACTSBCCR2POLB
SCHEMBL31727235 0.78 MAOA (0.53) MAOBMAOACTSBCCR2POLB
SCHEMBL30233011 0.76 CTSB (0.35) MAOBMAOACTSBL3MBTL1EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 EP disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 WO disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed