SCHEMBL11828707

SCHEMBL11828707

O=c1cc(O)c2ccccc2n1CCO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KDM4E B2RXH2 8/20 0.69
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11826856 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7462175 0.85 ALDH1A1 (0.83) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1790843 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11826437 0.83 KDM4E (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11826568 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3291974 0.81 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7135259 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11822726 0.81 KDM4E (0.67) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9535544 0.81 KDM4E (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30197876 0.80 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2AMAPT

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-3968119-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed