SCHEMBL19683516

SCHEMBL19683516

c1ccc2c(c1)c1cocc1c1occc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FTO Q9C0B1 1/20 0.33
MAPT P10636 2/20 0.32
CREBBP Q92793 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL19683512 0.98 MAOA (0.34) MAOAMAOBFTOMAPTCREBBP
SCHEMBL29383148 0.86 MAOA (0.41) MAOAMAOBFTOMAPTCREBBP
SCHEMBL1290051 0.86 MAOA (0.41) MAOAMAOBFTOMAPTCREBBP
SCHEMBL19386145 0.84 MAOA (0.39) MAOAMAOBFTOMAPTCREBBP
SCHEMBL19683509 0.83 MAOA (0.42) MAOAMAOBFTOMAPTCREBBP
SCHEMBL19683502 0.81 MAOA (0.41) MAOAMAOBFTOMEN1ALDH1A1
SCHEMBL19683518 0.80
SCHEMBL19683420 0.79
SCHEMBL14603373 0.78 HPRT1 (0.40) MAOAMAPTALDH1A1KMT2AHPGD
SCHEMBL19683501 0.78 HPRT1 (0.40) MAOAMAPTALDH1A1KMT2AHPGD

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
WO-2017210072-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 WO disclosed