SCHEMBL23086244

SCHEMBL23086244

O=C(NC(=O)Nc1cc(C(=O)O)ccc1-c1ccccc1)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 2/20 0.50
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPSE Q9Y251 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MAPT P10636 2/20 0.44

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
SCHEMBL9651660 0.82 HPSE (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23069074 0.77 MGLL (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6682111 0.76 TRPV1 (0.46) IDH2NPC1RAB9AMEN1KMT2A
SCHEMBL31253047 0.75 MAPT (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL31253065 0.75 LTB4R (0.48) MEN1KMT2AALDH1A1
SCHEMBL29776946 0.75 CA12 (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10401175 0.74 SMN1; SMN2 (0.80) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5595020 0.73 CXCR2 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28646206 0.72 HDAC1 (0.47) NPC1RAB9ALMNAMAPTPYGL
SCHEMBL28152471 0.71 IDH2 (0.65) IDH2

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-3790739-A1 HEAT-SENSITIVE RECORDING MATERIAL Papierfabrik August Koehler SE (DE) 2021-03-17 — — EP disclosed
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