SCHEMBL5084276

SCHEMBL5084276

Cc1c(Br)cc(Br)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PRNP P04156 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 5/20 0.38
CYP2C9 P11712 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL29527690 0.83 CYP1A2 (0.48) ALDH1A1HTTMAPTHPGDKMT2A
SCHEMBL6700939 0.83 ALDH1A1 (0.44) ALDH1A1HTTMAPTHPGDMEN1
SCHEMBL2571993 0.83 CYP1A2 (0.48) ALDH1A1HTTMAPTHPGDKMT2A
SCHEMBL14922180 0.79 HTT (0.47) ALDH1A1HTTMAPTHPGDMEN1
SCHEMBL5238303 0.77 ALDH1A1 (0.42) ALDH1A1HTTMAPTHPGDSMN1; SMN2
SCHEMBL13714134 0.76 IDO1 (0.42) MAPTHPGDSMN1; SMN2RAB9AATM
SCHEMBL11804493 0.76 CYP2C19 (0.40) ALDH1A1HTTMAPTHPGDMEN1
SCHEMBL12925915 0.75 ALDH1A1 (0.44) ALDH1A1MAPTHPGDCYP2D6CYP2C19
SCHEMBL18028386 0.74 TSHR (0.42) ALDH1A1HPGDCYP2C19CYP1A2CYP2C9
SCHEMBL3835653 0.74 ALDH1A1 (0.41) ALDH1A1HTTMAPTHPGDMEN1

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
US-8513346-B2 Flame retardant composition for use in styrenics CHEMTURA CORPORATION (US) 2013-08-20 US disclosed
US-20120184638-A1 Flame Retardant Composition for Use in Styrenics LANXESS SOLUTIONS US INC. 2012-07-19 US disclosed
US-20080221239-A1 Flame retardant composition for use in styrenics RECREATIONAL WATER PRODUCTS, INC. 2008-09-11 US disclosed
EP-0023415-A2 A method of mounting ventilators, lights and the like in sealed relation to an opening and a preformed sealing material for use in such a method COLT INTERNATIONAL HOLDINGS A.G. (CH) 1981-02-04 EP disclosed