SCHEMBL17067848

SCHEMBL17067848

C=Cc1cc(F)ccc1/C=N/NC(=S)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.43
▸ MAPT P10636 7/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL29773623 0.69 NCOA3 (0.48) TOP2AMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL29773613 0.69 NCOA3 (0.48) TOP2AMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL10628276 0.68 L3MBTL1 (0.64) TOP2AMAPTRAB9AKDM4ELMNA
SCHEMBL15677686 0.68 MEN1 (0.57) TOP2AMAPTPOLBKDM4ELMNA
SCHEMBL10628263 0.66 GAA (0.66) TOP2AMAPTRAB9APOLBKDM4E
SCHEMBL12683684 0.66 GAA (0.53) MAPTPOLBKDM4ELMNASMN1; SMN2
SCHEMBL28545385 0.65 MAOB (0.67) MAPTPOLBKDM4ELMNASMN1; SMN2
SCHEMBL20080903 0.65 LMNA (0.61) TOP2AMAPTRAB9APOLBKDM4E
SCHEMBL18902030 0.65 GRIN2D (0.36) MAPTRAB9APOLBKDM4ECYP1A2
SCHEMBL15694788 0.64 HTT (0.55) MAPTRAB9APOLBKDM4ELMNA

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-2915806-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF Shenyang Pharmaceutical University (CN) 2015-09-09 — — EP disclosed
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