SCHEMBL12997104

SCHEMBL12997104

Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ LMNA P02545 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ NFKB2 Q00653 2/20 0.64
▸ RELA Q04206 2/20 0.64
▸ CASP3 P42574 5/20 0.63
▸ SENP7 Q9BQF6 4/20 0.63
▸ SENP6 Q9GZR1 2/20 0.63
▸ MAPT P10636 4/20 0.57
▸ THRB P10828 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ NPC1 O15118 9/20 0.56
▸ RAB9A P51151 9/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.56

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
SCHEMBL1734841 0.84 NPC1 (0.76) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL29622897 0.84 NPC1 (0.76) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL5834587 0.84 LMNA (0.59) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL23748392 0.83 NPC1 (0.73) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2250992 0.81 SMN1; SMN2 (0.70) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL30153407 0.81 SMN1; SMN2 (0.70) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1065877 0.80 NPC1 (0.68) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1734922 0.79 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL24881921 0.79 SMN1; SMN2 (0.72) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2688302 0.79 SMN1; SMN2 (0.53) KDM4EALDH1A1SMN1; SMN2LMNAHPGD

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
WO-2010137349-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS 住友化学株式会社 (JP) 2010-12-02 — — WO disclosed
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