SCHEMBL28221208

SCHEMBL28221208

O=C(CCl)Nc1ccc(Nc2cc(S(=O)(=O)O)cc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.48
▸ PRMT1 Q99873 1/20 0.45
▸ GNG2 P59768 4/20 0.45
▸ GNB1 P62873 4/20 0.45
▸ P2RY2 P41231 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ MITF O75030 1/20 0.42
▸ CYP1A2 P05177 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ CHAT P28329 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ APEX1 P27695 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
SCHEMBL14641968 0.81 PHLPP2 (0.75) PHLPP2GNG2GNB1P2RY2ALDH1A1
SCHEMBL28322468 0.77 P2RY2 (0.56) PHLPP2GNG2GNB1P2RY2ALDH1A1
SCHEMBL9445866 0.75 PHLPP2 (0.53) PHLPP2P2RY2ALDH1A1NPC1RAB9A
SCHEMBL28220556 0.74 KMT2A (0.53) PHLPP2PRMT1GNG2GNB1P2RY2
SCHEMBL15427156 0.72 ALDH1A1 (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL18867057 0.72 P2RY4 (0.58) PHLPP2GNG2GNB1P2RY2ALDH1A1
SCHEMBL14155782 0.72 PRMT1 (0.77) PRMT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1592217 0.72 CHAT (0.43) PHLPP2GNG2GNB1ALDH1A1CYP1A2
SCHEMBL28195405 0.72 P2RY4 (0.51) GNG2GNB1P2RY2ALDH1A1RAB9A
SCHEMBL3382902 0.71 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2

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-108152205-A Pincers hold device in a kind of Atomic Fluorescence Spectrometer injector 徐州市环境监测中心站 2018-06-12 — — CN disclosed
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