SCHEMBL9003631

SCHEMBL9003631

CC(C)(C)c1ccc([S+](Cc2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.CCCC[B-](c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9003420 0.81 HPGD (0.31)
SCHEMBL9003359 0.80 SMN1; SMN2 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL2323723 0.77 RAB9A (0.44) MEN1ALDH1A1KMT2A
SCHEMBL309257 0.75 HDAC3 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL8757360 0.72 CYP1A2 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL8757237 0.71 SMN1; SMN2 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL7038061 0.70 KDM1A (0.33) ALDH1A1
SCHEMBL20060637 0.70 HDAC3 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL9003759 0.69 TSHR (0.39)
Butylamine SCHEMBL4361410 0.69 HDAC3 (0.36) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed