SCHEMBL6598615

SCHEMBL6598615

O=C(O)c1c[nH]cc1-c1cc(Br)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL6602675 0.82 MEN1 (0.43) MEN1KMT2ARXFP1MAPTHTT
SCHEMBL6599085 0.80 MEN1 (0.56) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL6599300 0.79 KDM4E (0.47) KMT2AL3MBTL1KDM4EALDH1A1GLA
SCHEMBL30344464 0.77 MEN1 (0.65) MEN1KMT2ARXFP1AKR1C3AKR1C2
SCHEMBL1228020 0.77 MEN1 (0.65) MEN1KMT2ARXFP1AKR1C3AKR1C2
SCHEMBL29434773 0.77 CYP2A6 (0.48) MEN1KMT2ARXFP1MAPTNPSR1
SCHEMBL31491192 0.70 MEN1 (0.60) MEN1KMT2ARXFP1AKR1C3AKR1C2
SCHEMBL29418249 0.70 KDM4E (0.46) MAPTNPSR1TDP1L3MBTL1KDM4E
SCHEMBL13719437 0.70 MEN1 (0.60) MEN1KMT2ARXFP1AKR1C3AKR1C2
SCHEMBL17751069 0.70 MEN1 (0.63) MEN1KMT2ARXFP1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 — — EP disclosed
CN-1151148-C farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LGCI��ʽ���� 2004-05-26 — — CN disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 — — US disclosed
CN-1346353-A farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LG CHEMICAL LTD (KR) 2002-04-24 — — CN disclosed
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