SCHEMBL23536738

SCHEMBL23536738

O=C(O)n1cc(Br)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
POLB P06746 3/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 2/20 0.38
FABP3 P05413 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RX4 Q99571 1/20 0.37
GLA P06280 1/20 0.37
CREBBP Q92793 1/20 0.36
HTT P42858 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL31370748 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2ATHRBMEN1
SCHEMBL1777460 0.79 KDM4E (0.47) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL21805281 0.79 CDK9 (0.36) AKR1C3
SCHEMBL6123415 0.78 KDM4E (0.41) KDM4EALDH1A1KMT2ATHRBMEN1
SCHEMBL2594979 0.77 TFPI2 (0.54) KDM4EALDH1A1KMT2ATHRBMEN1
SCHEMBL28829688 0.77 ALDH1A1 (0.50) KDM4EALDH1A1KMT2ATHRBMEN1
SCHEMBL30622597 0.77 TFPI2 (0.54) KDM4EALDH1A1KMT2ATHRBMEN1
SCHEMBL5814849 0.77 ALDH1A1 (0.44) KDM4EALDH1A1KMT2ATHRBAKR1C3
SCHEMBL15565511 0.76 SMN1; SMN2 (0.41) KDM4EALDH1A1KMT2APOLBHSD17B10
SCHEMBL2544694 0.76 L3MBTL1 (0.52) KDM4EALDH1A1KMT2AMEN1POLB

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
CN-101595121-A Pyrrolidine derivatives as IAP inhibitors NOVARTIS AG (CH) 2009-12-02 CN disclosed