SCHEMBL9243271

SCHEMBL9243271

O=C1c2cc(C(F)(F)F)c(C(F)(F)F)cc2C(=O)c2cc3ccccc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD11B1 P28845 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25B P30305 1/20 0.39
CES1 P23141 1/20 0.38
PABPC1 P11940 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL29364188 0.82 MEN1 (0.56) NPC1RAB9ABCL2MCL1MEN1
SCHEMBL354514 0.82 MEN1 (0.56) NPC1RAB9ABCL2MCL1MEN1
SCHEMBL30130196 0.82 MEN1 (0.56) NPC1RAB9ABCL2MCL1MEN1
Ammonia Solution, Strong SCHEMBL28255083 0.79 MEN1 (0.53) NPC1RAB9ABCL2MCL1MEN1
SCHEMBL29634145 0.79 MEN1 (0.53) NPC1RAB9ABCL2MCL1MEN1
SCHEMBL30458681 0.79 MEN1 (0.53) NPC1RAB9ABCL2MCL1MEN1
SCHEMBL16144676 0.79 MEN1 (0.53) NPC1RAB9ABCL2MCL1MEN1
SCHEMBL9243671 0.79 NPC1 (0.55) NPC1RAB9ABCL2MCL1MEN1
SCHEMBL9737187 0.78 CA12 (0.32) CES1
SCHEMBL2516264 0.77 MEN1 (0.50) NPC1RAB9ABCL2MCL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391749-A Photoinitiators or photosensitizers CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed
US-5338863-A Catalytic sulfiding CIBA-GEIGY CORPORATION (US) 1994-08-16 US disclosed
EP-0344109-B1 Substituted naphthacene-5,12-diones and their use CIBA GEIGY AG (CH) 1994-04-27 EP disclosed
US-5206390-A Intermediates for tetrathiotetracenes CIBA-GEIGY CORPORATION (US) 1993-04-27 US disclosed
EP-0344112-B1 SUBSTITUTED BISACYLOXYNAPHTHACENES, AND PROCESS FOR THE PREPARATION OF TETRATHIOTETRACENES CIBA-GEIGY AG (CH) 1993-01-20 EP disclosed
US-5112977-A Photoinitiators, metallization of polymeric surfaces CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-5011944-A Substituted α-pyrones CIBA-GEIGY CORPORATION (US) 1991-04-30 US disclosed
US-4981962-A CHARGE TRANSFER COMPLEXES CIBA-GEIGY CORPORATION (US) 1991-01-01 US disclosed
EP-0344113-A2 Substituted alpha-pyrones and naphthoquinones CIBA-GEIGY AG (CH) 1989-11-29 EP disclosed
EP-0344112-A2 Substituted bisacyloxynaphthacenes, and process for the preparation of tetrathiotetracenes CIBA-GEIGY AG (CH) 1989-11-29 EP disclosed
EP-0344111-A2 Substituted tetrathio- and tetraselenotetracenes CIBA-GEIGY AG (CH) 1989-11-29 EP disclosed
EP-0344109-A2 Substituted naphthacene-5,12-diones and their use CIBA-GEIGY AG (CH) 1989-11-29 EP disclosed