SCHEMBL20146542

SCHEMBL20146542

Cc1cc2sccc2c(I)c1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
MAPT P10636 2/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL20126952 0.81 KDM4E (0.39) KDM4EICAM1SELEVCAM1MAPT
SCHEMBL20022330 0.76 KDM4E (0.36) KDM4EICAM1SELEVCAM1MAPT
SCHEMBL22504306 0.75 MAPT (0.40) KDM4EICAM1SELEVCAM1MAPT
SCHEMBL22025566 0.75 MAPT (0.42) KDM4EICAM1SELEVCAM1MAPT
SCHEMBL22504295 0.73 KDM4E (0.42) KDM4EICAM1SELEVCAM1MAPT
SCHEMBL16016838 0.73 TUBB4A (0.38) KDM4EMAPTALDH1A1
SCHEMBL16449714 0.72 KDM4E (0.41) KDM4EICAM1SELEVCAM1MAPT
SCHEMBL26080844 0.71 KDM4E (0.42) KDM4EICAM1SELEVCAM1MAPT
SCHEMBL20146558 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18177602 0.68 KDM4E (0.39) KDM4EICAM1SELEVCAM1MAPT

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
EP-3789379-A1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS Universal Display Corporation (US) 2021-03-10 EP disclosed
EP-3321258-B1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS UNIVERSAL DISPLAY CORP (US) 2020-12-23 EP disclosed
EP-3321258-A1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS Universal Display Corporation (US) 2018-05-16 EP disclosed