SCHEMBL8832040

SCHEMBL8832040

COc1ccc(C(=O)Nc2ccccc2C)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.81
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 2/20 0.71
MEN1 O00255 2/20 0.71
HDAC1 Q13547 2/20 0.70
HDAC3 O15379 1/20 0.70
HDAC4 P56524 1/20 0.70
HDAC7 Q8WUI4 1/20 0.70
HDAC2 Q92769 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HDAC9 Q9UKV0 1/20 0.70
HDAC5 Q9UQL6 1/20 0.70
POLB P06746 1/20 0.70
HPGD P15428 1/20 0.70
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
LMNA P02545 1/20 0.66

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
SCHEMBL9055150 0.88 HPGD (0.89) KMT2AALDH1A1MEN1HDAC1HDAC8
SCHEMBL3821744 0.87 F10 (0.93) F10KMT2AALDH1A1MEN1HDAC1
SCHEMBL7249253 0.86 F10 (0.69) F10KMT2AALDH1A1MEN1HDAC1
SCHEMBL19472683 0.84 GAA (0.70) F10KMT2AALDH1A1MEN1POLB
SCHEMBL6866814 0.84 KMT2A (0.82) F10KMT2AALDH1A1MEN1HDAC1
SCHEMBL5221640 0.84 F10 (0.81) F10KMT2AALDH1A1MEN1HDAC1
SCHEMBL9620772 0.84 F10 (0.81) F10KMT2AALDH1A1MEN1HDAC1
SCHEMBL29808279 0.83 MEN1 (0.83) KMT2AALDH1A1MEN1POLBHPGD
SCHEMBL12077495 0.83 MEN1 (0.83) KMT2AALDH1A1MEN1POLBHPGD
SCHEMBL3690383 0.83 POLB (0.79) KMT2AALDH1A1MEN1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628374-B1 BCL-3 INHIBITORS UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2023-08-30 EP disclosed
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed
EP-0796233-A1 RESIN-BOUND PHOSPHONIUM SALTS AND THEIR USE IN ORGANIC SYNTHESIS SMITHKLINE BEECHAM PLC (GB) 1997-09-24 EP disclosed
WO-1996018592-A1 RESIN-BOUND PHOSPHONIUM SALTS AND THEIR USE IN ORGANIC SYNTHESIS SMITHKLINE BEECHAM PLC (GB) 1996-06-20 WO disclosed
US-3987059-A ALKYL LITHIUM, CYCLIZATION, DEMETALLIZATION SANDOZ, INC. (US) 1976-10-19 US disclosed