SCHEMBL8852597

SCHEMBL8852597

COc1ccc(C=Cc2nc(N)nc(C(Br)(Br)Br)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
DHFR P00374 1/20 0.48
CYP1A2 P05177 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 2/20 0.46
NPC1 O15118 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPA1 O75762 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
ESR1 P03372 2/20 0.44
TUBB4A P04350 2/20 0.44

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
SCHEMBL1048205 0.91 CYP1A2 (0.51) MAPTMEN1KMT2ACYP1A2KDM4E
SCHEMBL1048204 0.91 CYP1A2 (0.51) MAPTMEN1KMT2ACYP1A2KDM4E
SCHEMBL153282 0.87 MAPT (0.55) MAPTMEN1KMT2ADHFRCYP1A2
SCHEMBL811981 0.87 MAPT (0.55) MAPTMEN1KMT2ADHFRCYP1A2
SCHEMBL24897242 0.79 CYP1A2 (0.64) MAPTCYP1A2KDM4ECYP3A4NPC1
SCHEMBL51498 0.77 CYP1A2 (0.50) MAPTMEN1KMT2ACYP1A2KDM4E
SCHEMBL51497 0.77 CYP1A2 (0.50) MAPTMEN1KMT2ACYP1A2KDM4E
SCHEMBL21940412 0.77 CYP1A2 (0.50) MAPTMEN1KMT2ACYP1A2KDM4E
SCHEMBL7803314 0.76 TUBB4A (0.60) CYP1A2CYP1A1CYP1B1TUBB4ATUBB
SCHEMBL7803315 0.76 TUBB4A (0.60) CYP1A2CYP1A1CYP1B1TUBB4ATUBB

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
US-5631307-A SULFONIUM ORGANOBORON COMPLEX OR OXOSULFONIUM ORGANOBORON COMPLEX WITH SENSITIZERS TOYO INK MANUFACTURING CO., LTD. (JP) 1997-05-20 US disclosed
EP-0690074-A1 Photopolymerization initiator composition and photopolymerizable composition TOYO INK MANUFACTURING CO., LTD. (JP) 1996-01-03 EP disclosed