SCHEMBL11089008

SCHEMBL11089008

BrC(I)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KCNN4 O15554 4/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.39
KIF11 P52732 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PTPN1 P18031 1/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2549759 0.80 KCNN4 (0.45) ALDH1A1KCNN4TSHRALOX15MAPK1
SCHEMBL29161115 0.80 KCNN4 (0.45) ALDH1A1KCNN4TSHRALOX15MAPK1
SCHEMBL3688337 0.77 TSHR (0.50) ALDH1A1KCNN4TSHRALOX15MAPK1
SCHEMBL2261820 0.76 KCNN4 (0.47) ALDH1A1KCNN4TSHRALOX15MAPK1
SCHEMBL1315561 0.76 KCNN4 (0.47) ALDH1A1KCNN4TSHRALOX15MAPK1
SCHEMBL874140 0.76 KCNN4 (0.47) ALDH1A1KCNN4TSHRALOX15MAPK1
SCHEMBL297091 0.75 MAPK1 (0.48) ALDH1A1KCNN4TSHRALOX15MAPK1
Phosphine SCHEMBL114295 0.73 KCNN4 (0.45) ALDH1A1KCNN4TSHRALOX15MAPK1
SCHEMBL9073584 0.73 TSHR (0.61) ALDH1A1KCNN4TSHRALOX15MAPK1
Bromotriphenylmethane SCHEMBL263 0.72 ALDH1A1 (0.50) ALDH1A1KCNN4TSHRALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442202-A SILVER HALIDE, REDOX SYSTEM, ORGANOBROMINE COMPOUND, STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-04-10 US disclosed
US-4396712-A ORGANIC SILVER SALT OXIDIZER, REDUCING AGENT, SILVER HALIDE OR SILVER HALIDE FORMER, TONER, BINDER, HYDROXYPHENYLBENZOTRIAZOLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-08-02 US disclosed
US-4332889-A IMPROVED SENSITIVITY, STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-06-01 US disclosed