SCHEMBL11512342

SCHEMBL11512342

Oc1cccc(CNc2ccccc2O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
MAPT P10636 2/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
THRB P10828 1/20 0.66
ALOX12 P18054 1/20 0.66
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.51
SLC2A4 P14672 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL11514456 0.85 MAPT (0.70) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL28626457 0.83 MAPT (0.57) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL29101460 0.83 KDM4E (0.57) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL268673 0.83 KDM4E (0.78) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL7710784 0.81 CYP1A2 (0.50) KDM4EMAPTKMT2AMEN1ALDH1A1
Bromide SCHEMBL10436174 0.81 KDM4E (0.75) KDM4EMAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6266755 0.81 KDM4E (0.75) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL6261878 0.81 MAPT (0.88) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL11513224 0.80 KDM4E (0.68) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL3421755 0.80 KDM4E (0.68) KDM4EMAPTKMT2AMEN1ALDH1A1

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-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 US disclosed