SCHEMBL18048936

SCHEMBL18048936

O=C(Nc1ccc(Cl)cc1)c1cccnc1NCC1COC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.61
▸ NPC1 O15118 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ABCB1 P08183 1/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ DHODH Q02127 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL18049021 0.89 KMT2A (0.60) KDRABCB1MEN1KMT2AMAPT
SCHEMBL18070899 0.88 KDR (0.63) KDRNPC1MEN1KMT2AMAPT
SCHEMBL18048978 0.88 KDR (0.63) KDRNPC1ABCB1MEN1KMT2A
SCHEMBL18070938 0.88 MEN1 (0.50) KDRABCB1MEN1KMT2AMAPT
SCHEMBL18048967 0.86 KDR (0.64) KDRNPC1ABCB1MEN1KMT2A
SCHEMBL18049826 0.86 EGLN1 (0.51) KDRABCB1MEN1KMT2AMAPT
SCHEMBL18070935 0.84 KDR (0.48) KDRABCB1MEN1KMT2AMAPT
SCHEMBL18048954 0.83 KDR (0.65) KDRNPC1TSHRABCB1MEN1
SCHEMBL18049845 0.81 KDR (0.48) KDRABCB1MEN1KMT2AMAPT
SCHEMBL5756198 0.80 KDR (0.61) KDRNPC1TSHRABCB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144797-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
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