SCHEMBL28001089

SCHEMBL28001089

[Ir].c1ccc(CP(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
CALM1 P0DP23 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
HTR2A P28223 2/20 0.40
CYP2A6 P11509 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 2/20 0.38
TP53 P04637 1/20 0.38
TRPA1 O75762 1/20 0.38
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.34

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
SCHEMBL230856 0.97 TDP1 (0.43) TDP1CYP3A4CALM1LOXL2HTR2A
Hydrochloric Acid SCHEMBL11853156 0.95 CYP3A4 (0.41) TDP1CYP3A4CALM1LOXL2HTR2A
SCHEMBL27696764 0.95 TDP1 (0.41) TDP1CYP3A4CALM1LOXL2HTR2A
Hydrochloric Acid SCHEMBL11853139 0.95 CYP3A4 (0.41) TDP1CYP3A4CALM1LOXL2HTR2A
Hydrochloric Acid SCHEMBL10899109 0.95 CYP3A4 (0.41) TDP1CYP3A4CALM1LOXL2HTR2A
Hydrochloric Acid SCHEMBL334217 0.95 CYP3A4 (0.41) TDP1CYP3A4CALM1LOXL2HTR2A
Hydrochloric Acid SCHEMBL29032658 0.92 CYP3A4 (0.39) TDP1CYP3A4CALM1LOXL2HTR2A
SCHEMBL4827020 0.92 CYP3A4 (0.43) TDP1CYP3A4CALM1LOXL2TAAR1
SCHEMBL18486679 0.88 CALM1 (0.55) TDP1CYP3A4CALM1TAAR1CA12
SCHEMBL29620392 0.85 TAAR1 (0.44) TDP1CYP3A4TAAR1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104517665-B The manufacturing method of charge-transporting varnish, charge-transporting film, organic electroluminescent device and charge-transporting film 日产化学工业株式会社 2018-12-11 CN disclosed
CN-104513513-B Charge-transporting varnish, charge-transporting film and organic electroluminescent device 日产化学工业株式会社 2018-11-06 CN disclosed
CN-104513512-B Charge-transporting varnish, charge-transporting film and organic electroluminescent device 日产化学工业株式会社 2018-10-09 CN disclosed
CN-104629591-A Charge-transporting varnish, charge-transporting thin film, and organic electroluminescent device NISSAN CHEMICAL IND LTD 2015-05-20 CN disclosed
CN-104513513-A Charge transfer varnish, charge transfer thin film and organic electroluminescence component NISSAN CHEMICAL IND LTD 2015-04-15 CN disclosed
CN-104517665-A Charge transporting varnish, charge transporting thin film, organic electroluminescent device and manufacturing method for charge transporting thin film NISSAN CHEMICAL IND LTD 2015-04-15 CN disclosed
CN-104513512-A Charge transfer varnish, charge transfer thin film and organic electroluminescence component NISSAN CHEMICAL IND LTD 2015-04-15 CN disclosed