SCHEMBL10120201

SCHEMBL10120201

Bc1cc(C(=O)OC)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 6/20 0.56
HPGD P15428 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
PKM P14618 2/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 2/20 0.56
PLIN1 O60240 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
PLIN5 Q00G26 1/20 0.56
MCL1 Q07820 1/20 0.56
ABHD5 Q8WTS1 1/20 0.56
DHODH Q02127 1/20 0.56
USP2 O75604 1/20 0.55
PLA2G2A P14555 5/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52

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
SCHEMBL14518623 0.84 MEN1 (0.72) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL72379 0.83 KDM4E (0.70) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL12903095 0.83 KDM4E (0.70) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL31295407 0.83 KDM4E (0.70) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL663977 0.83 KDM4E (0.70) KDM4EMEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL4562712 0.81 MEN1 (0.69) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL6586825 0.81 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL17434216 0.81 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1229307 0.81 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7487026 0.81 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD

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-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO disclosed