SCHEMBL8449448

SCHEMBL8449448

Cc1cc([CH]c2ccccc2)on1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL29268145 0.83 CYP2C19 (0.56) KDM4EALDH1A1TSHRHDAC1HDAC2
SCHEMBL4086630 0.73
SCHEMBL8384934 0.69
SCHEMBL11300802 0.67 APP (0.48) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL11300795 0.67 APP (0.48) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL5704548 0.67
SCHEMBL5704559 0.67
SCHEMBL4031821 0.66 MEN1 (0.46) KDM4EUSP2ALDH1A1TSHRMEN1
SCHEMBL4031823 0.66 MEN1 (0.46) KDM4EUSP2ALDH1A1TSHRMEN1
SCHEMBL10646652 0.65 HCAR2 (0.41) HCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942909-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 1999-09-22 EP disclosed
WO-1998022463-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 1998-05-28 WO disclosed