SCHEMBL23960856

SCHEMBL23960856

Cc1cc(C(C)(C)C)ccc1-c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KIF11 P52732 2/20 0.38
IDO1 P14902 1/20 0.37
POLQ O75417 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL23960839 0.80 AAK1 (0.40) PARP10PARP11S1PR1S1PR3AAK1
SCHEMBL31380444 0.80 KIF11 (0.57) S1PR1S1PR3AAK1AKR1C2KIF11
SCHEMBL3281593 0.80 KIF11 (0.57) S1PR1S1PR3AAK1AKR1C2KIF11
SCHEMBL23960848 0.78 KIF11 (0.59) S1PR1S1PR3KIF11NPC1ALDH1A1
SCHEMBL24140123 0.77 IDO1 (0.46) PARP10PARP11S1PR1S1PR3AAK1
SCHEMBL31411143 0.77 RECQL (0.42) S1PR1S1PR3KIF11IDO1ALDH1A1
SCHEMBL803495 0.77 RECQL (0.42) S1PR1S1PR3KIF11IDO1ALDH1A1
SCHEMBL4928287 0.76 IDO1 (0.44) PARP10PARP11IDO1ALDH1A1RORC
SCHEMBL8467570 0.72 ALDH1A1 (0.50) KIF11NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL25531758 0.72 KIF11 (0.52) KIF11NPC1ALDH1A1PLA2G1BNFKB1

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-20210332290-A1 ORGANIC LIGHT-EMITTING MATERIAL BASED ON A PLATINUM TETRADENTATE ONCN COMPLEX, PREPARATION METHOD AND APPLICATION THEREOF IN ORGANIC LIGHT-EMITTING DIODES GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2021-10-28 US disclosed