SCHEMBL11535334

SCHEMBL11535334

O=C(c1ccccc1)c1cc(Cl)ccc1NC(CBr)CC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 3/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.44
SERPINE1 P05121 1/20 0.44

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
SCHEMBL11534908 0.87 TP53 (0.41) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL11535336 0.80 PPARG (0.53) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL11293404 0.77 MAPT (0.56) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL10800720 0.75 MAPT (0.64) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL16797493 0.74 MAPT (0.56) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL31048907 0.73 SMN1; SMN2 (0.69) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL11538033 0.73 SMN1; SMN2 (0.69) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL9726954 0.73 MAPT (0.58) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL9853488 0.72 MAPT (0.63) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL31384417 0.72 MAPT (0.67) MAPTTP53ALDH1A1LMNASMN1; SMN2

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
US-4155904-A Process for the preparation of 1,4-benzo-diazepines and 1,4-benzodiazepinones SCHERING CORPORATION (US) 1979-05-22 US disclosed