SCHEMBL11680523

SCHEMBL11680523

O=C(c1ccccc1)c1cc(Cl)ccc1NCCCCl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 3/20 0.54
PPARG P37231 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTT P42858 1/20 0.52
THRB P10828 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL11266542 0.88 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9726954 0.85 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL19297583 0.85 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9853488 0.84 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL13603806 0.82 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11636235 0.82 SMN1; SMN2 (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11298000 0.82 PPARG (0.54) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5418944 0.81 ALDH1A1 (0.71) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL30661080 0.81 ALDH1A1 (0.71) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL1637533 0.81 CYP1A2 (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4049666-A THE 2-(N-(HALOALKYL OR HALOACYL)-N-(ACYLOXYALKYL OR CARBOBENZOXYALKYL)AMINOPHENYL) PYRIDYL KETONE INTERMEDIATES HOFFMAN-LA ROCHE INC. (US) 1977-09-20 US disclosed
US-4049667-A THE 2-(N-(HALO-CARBALKOXY-ALKYL OR ACYL)-N-(ACYLOXYALKYL OR CARBOBENZOXYALKYL)AMINOPHENYL) PYRIDYL KETONE INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1977-09-20 US disclosed
US-4017531-A SEDATIVE, MUSCLE RELAXANT, ANTICONVULSANT HOFFMANN-LA ROCHE INC. (US) 1977-04-12 US disclosed
US-4017532-A SEDATIVES, MUSCLE RELAXANTS, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1977-04-12 US disclosed
US-4014916-A SEDATIVES, MUSCLE RELAXANTS AND ANTICONVULSANT AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-03-29 US disclosed
US-3997591-A SEDATIVES, MUSCLE RELAXANT, ANTICONVULSANT HOFFMANN-LA ROCHE INC. (US) 1976-12-14 US disclosed
US-3965151-A 2-(AMINO OR AMIDO)-BENZOPHENONES HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US disclosed