SCHEMBL7339642

SCHEMBL7339642

CCCC(I)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.41
KIF11 P52732 4/20 0.40
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
SCN1A P35498 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
Iodide SCHEMBL28547565 0.98 KCNN4 (0.40) KCNN4KIF11TAAR1SIGMAR1LMNA
SCHEMBL21577161 0.83 SIGMAR1 (0.40) KIF11SIGMAR1MAPK1SMN1; SMN2MEN1
SCHEMBL20752447 0.82 TAAR1 (0.40) KCNN4KIF11TAAR1SIGMAR1LMNA
SCHEMBL950778 0.80 KIF11 (0.54) KCNN4KIF11TAAR1SIGMAR1CYP3A4
SCHEMBL2583837 0.80 KCNN4 (0.44) KCNN4KIF11TAAR1CYP2C19MAPK1
SCHEMBL6682083 0.78 KCNN4 (0.43) KCNN4KIF11TAAR1SIGMAR1LMNA
Bromide SCHEMBL29549720 0.78 KIF11 (0.52) KCNN4KIF11SIGMAR1CYP3A4CYP2D6
Iodide SCHEMBL28747539 0.78 KIF11 (0.52) KCNN4KIF11SIGMAR1CYP3A4CYP2D6
SCHEMBL6700733 0.77 ESR1 (0.38) KCNN4LMNARAB9AESR1ESR2
SCHEMBL7918679 0.77 CYP19A1 (0.43) KIF11LMNAMAPK1TSHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313580-A Chemically amplified positive resist composition for pattern profile improvement 荣昌化学制品株式会社 2021-02-02 CN disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed