SCHEMBL11612424

SCHEMBL11612424

CCCc1ccc(-c2ncc(C(N)=O)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RARB P10826 3/20 0.48
▸ PLK1 P53350 1/20 0.44
▸ THRB P10828 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KLF5 Q13887 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ NR2F2 P24468 1/20 0.41

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
SCHEMBL11609662 0.91 ALDH1A1 (0.60) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL11612813 0.89 RAB9A (0.67) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL11616542 0.88 RAB9A (0.69) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL11610529 0.88 RAB9A (0.69) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL11753370 0.87 RAB9A (0.68) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL10339235 0.85 SMN1; SMN2 (0.61) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL11613422 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11613426 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL11561799 0.81 RARB (0.57) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL7907395 0.81 RAB9A (0.57) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066570-A OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS HOFFMAN-LA ROCHE INC. (US) 1978-01-03 — — US disclosed
US-3997536-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1976-12-14 — — US disclosed
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