SCHEMBL18048963

SCHEMBL18048963

O=C(Nc1ccc(Cl)cn1)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ RAB9A P51151 6/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GRM5 P41594 1/20 0.49
▸ VNN1 O95497 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ NPC1 O15118 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ F10 P00742 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 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
SCHEMBL18048981 0.87 KDR (0.56) L3MBTL1RAB9ASMN1; SMN2KMT2AVNN1
SCHEMBL18048969 0.86 VNN1 (0.51) L3MBTL1KMT2AVNN1ALDH1A1MAPT
SCHEMBL18049006 0.85 KDR (0.62) L3MBTL1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL18049798 0.81 VNN1 (0.46) RAB9ASMN1; SMN2KMT2AVNN1NPC1
SCHEMBL28764679 0.78 L3MBTL1 (0.66) L3MBTL1RAB9ASMN1; SMN2KMT2ABRD4
SCHEMBL29837506 0.78 L3MBTL1 (0.66) L3MBTL1RAB9ASMN1; SMN2KMT2ABRD4
SCHEMBL18048975 0.77 NAMPT (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL18070912 0.77 KDM4E (0.47) L3MBTL1KMT2AVNN1ALDH1A1MAPT
SCHEMBL18048992 0.76 CNR2 (0.41) VNN1ALDH1A1TDP1MAPT
SCHEMBL15528783 0.75 KMT2A (0.56) L3MBTL1KMT2AVNN1ALDH1A1F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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