SCHEMBL8604197

SCHEMBL8604197

Cc1c(C=O)ccc(Br)c1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KCNJ1 P48048 2/20 0.38
PRKDC P78527 1/20 0.36
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ERN1 O75460 5/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
CYP2A6 P11509 1/20 0.32
ALDH1A3 P47895 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6015132 0.84 ALDH1A1 (0.39) ALDH1A1TSHRKCNJ1PRKDCLMNA
SCHEMBL31303741 0.82 ALDH1A1 (0.43) ALDH1A1TSHRKCNJ1PRKDCLMNA
SCHEMBL1708271 0.82 ALDH1A1 (0.43) ALDH1A1TSHRKCNJ1PRKDCLMNA
SCHEMBL9712540 0.78 TDP1 (0.42) ALDH1A1TSHRKCNJ1PRKDCLMNA
SCHEMBL19948618 0.78 ERN1 (0.39) ALDH1A1TSHRKCNJ1PRKDCLMNA
SCHEMBL8491468 0.78 LMNA (0.39) ALDH1A1TSHRPRKDCLMNATDP1
SCHEMBL7771917 0.77
SCHEMBL4353272 0.77 ALDH1A1 (0.50) ALDH1A1TSHRKCNJ1LMNATDP1
SCHEMBL29818681 0.77 ALDH1A1 (0.50) ALDH1A1TSHRKCNJ1LMNATDP1
SCHEMBL146118 0.74 ALDH1A1 (0.50) ALDH1A1TSHRKCNJ1PRKDCLMNA

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-5750631-A CURABLE EPOXIDIZED PHENOLIC RESIN CONTAINING CHLORINE AND/OR BROMINE; FIREPROOFING, BY-PRODUCT INHIBITION SHELL OIL COMPANY (US) 1998-05-12 US disclosed