SCHEMBL20131148

SCHEMBL20131148

CSOCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.55
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SIGMAR1 Q99720 3/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ AOC3 Q16853 1/20 0.42

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
SCHEMBL18458925 0.92 L3MBTL1 (0.49) IDO1L3MBTL1SIGMAR1MAOA
SCHEMBL8757293 0.87 CA1 (0.44) IDO1
SCHEMBL24041896 0.82 HTR1A (0.49) LMNAL3MBTL1HTR1A
SCHEMBL24041827 0.81 MAOA (0.46) SIGMAR1MAOADRD3KCNH2
SCHEMBL18802189 0.79 IDO1 (0.61) IDO1LMNAMEN1KMT2ASIGMAR1
SCHEMBL19880725 0.79 IDO1 (0.55) IDO1LMNAMEN1KMT2ASIGMAR1
SCHEMBL20344725 0.79 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1
SCHEMBL24675563 0.77 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1
SCHEMBL90811 0.76 IDO1 (0.61) IDO1LMNAMEN1KMT2AL3MBTL1
SCHEMBL27518134 0.75 IDO1 (0.55) IDO1LMNASIGMAR1CHRM2HTR1A

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-3313840-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-07-24 — — EP disclosed
US-20180127543-A1 ORGANIC FLUORINE COMPOUND AND LUBRICANT SHOWA DENKO K.K. (JP) 2018-05-10 — — US disclosed
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