SCHEMBL22386325

SCHEMBL22386325

C=C(C)Nc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
TP53 P04637 4/20 0.62
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
SERPINE1 P05121 1/20 0.59
GAA P10253 2/20 0.57
THRB P10828 1/20 0.57

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
SCHEMBL19253255 0.89 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL30661117 0.89 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL31000396 0.88 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11827090 0.88 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11571840 0.84 MAPT (0.86) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL27611956 0.84 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL13263480 0.83 SMN1; SMN2 (0.71) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11455201 0.83 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL31384417 0.83 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL333291 0.83 MAPT (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419961-B1 UV/VISIBLE-ABSORBING VINYLIC MONOMERS AND USES THEREOF ALCON INC (CH) 2020-09-02 EP disclosed