SCHEMBL21281438

SCHEMBL21281438

Cc1nc2cccc(OCCNC(=O)c3ccncc3)c2c(N)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL21281274 0.89 POLB (0.43) KMT2AMEN1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL21281165 0.88 MCHR1 (0.44) KMT2AMEN1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL28457013 0.87 TSHR (0.43) KMT2AMEN1TSHRL3MBTL1SMN1; SMN2
SCHEMBL21281440 0.85 MARS1 (0.43) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL28460807 0.84 SMN1; SMN2 (0.46) KMT2AMEN1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL19901693 0.83 TP53 (0.37) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL19901700 0.83 PDE4A (0.46) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL21281197 0.83 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL19901697 0.83 PDE4A (0.48) KMT2ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28457357 0.83 MCHR1 (0.43) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 — — EP disclosed
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