SCHEMBL27888375

SCHEMBL27888375

CC(=O)Oc1ccc2c(c1)CC(C)(C)C(c1ccc(Cl)c([N+](=O)[O-])c1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ VCAM1 P19320 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ABCC9 O60706 1/20 0.33

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
SCHEMBL27888373 0.89 ITGB1 (0.35) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL27888404 0.85 ALDH1A1 (0.32) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL2537624 0.84 LMNA (0.46) MAPTLMNAALDH1A1ALOX12MAPK1
SCHEMBL27888674 0.81 LMNA (0.40) MAPTLMNAALDH1A1ALOX12MAPK1
SCHEMBL27888360 0.79 CYP19A1 (0.40) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL28803543 0.77 SMN1; SMN2 (0.34) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL15509520 0.76 KMT2A (0.36) LMNAALDH1A1KMT2AMEN1
SCHEMBL27905167 0.76 ALDH1A1 (0.36) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL1865349 0.75 MAPT (0.61) MAPTLMNAALDH1A1MAPK1RAF1
SCHEMBL27905174 0.73 EPHX2 (0.41) MAPTLMNAALDH1A1KMT2AMEN1

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
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 — — CN disclosed
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