SCHEMBL11293404

SCHEMBL11293404

O=C(c1ccccc1)c1cc(Cl)ccc1NCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 3/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PPARG P37231 1/20 0.51
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
SERPINE1 P05121 1/20 0.50

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
SCHEMBL9853488 0.84 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL15635495 0.84 KDM4E (0.54) ALDH1A1SMN1; SMN2TP53KDM4ESERPINE1
SCHEMBL11479363 0.84 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11535336 0.82 PPARG (0.53) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL13603806 0.82 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11636235 0.82 SMN1; SMN2 (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL1637533 0.81 CYP1A2 (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11477126 0.80 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL19297583 0.80 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9726954 0.80 MAPT (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4312996-A Benzodiazepine intermediates SCHERING CORPORATION (US) 1982-01-26 US disclosed
US-4202895-A 1-Polyhaloalkyl-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 US disclosed
US-4096144-A Process for preparing quinazolinone derivatives and their 2-(N-mono-substituted amino)-phenyl ketone intermediate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-06-20 US disclosed
US-3991048-A Process for the preparation of 1,4-benzodiazepine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-09 US disclosed