SCHEMBL31316014

SCHEMBL31316014

c1ccc(N2CCCS2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SIGMAR1 Q99720 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA7 P36544 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 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
SCHEMBL19149984 0.71 ALDH1A1 (0.38) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL7992349 0.71 CHRNB2 (0.46) ALDH1A1CHRNA7CYP3A4CHRNB2MAPK1
SCHEMBL15574255 0.68 LMNA (0.55) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL21159576 0.65 ALDH1A1 (0.42) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL15416152 0.63
SCHEMBL25001981 0.63 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL4913801 0.62 LMNA (0.43) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL8667665 0.62 BPTF (0.39) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL18228234 0.62 L3MBTL1 (0.61) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL16924863 0.62 LMNA (0.61) MEN1KMT2ASIGMAR1NPC1RAB9A

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-119156382-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-17 CN disclosed