SCHEMBL22002888

SCHEMBL22002888

c1ccc(N(c2ccc(-c3ccc4c(c3)CC4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)CC6)cc4)ccc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.37
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ HSD17B3 P37058 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PDK2 Q15119 2/20 0.31
▸ OPRK1 P41145 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30

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
SCHEMBL26082880 0.94 TDP2 (0.33) TDP2PARP10PARP11PDK2OPRK1
SCHEMBL26082887 0.92 PDK2 (0.35) TDP2PARP10PARP11PDK2OPRK1
SCHEMBL21895257 0.90 MEN1 (0.36) PDK2OPRK1KDM4EMAPT
SCHEMBL20404422 0.89 KDM4E (0.32) PDK2OPRK1KDM4EALDH1A1CYP1A2
SCHEMBL26082884 0.89 TDP2 (0.33) TDP2PARP10PARP11CYP11B1CYP11B2
SCHEMBL17461758 0.89 PDK2 (0.38) TDP2PDK2OPRK1KDM4EALDH1A1
SCHEMBL21895081 0.89 TDP2 (0.32) TDP2PARP10PARP11PDK2
SCHEMBL17461746 0.88 PDK2 (0.40) TDP2PARP10PARP11PDK2OPRK1
SCHEMBL13137305 0.87 MAPT (0.36) TDP2PDK2OPRK1KDM4EALDH1A1
SCHEMBL21587217 0.87 MAPT (0.36) TDP2PDK2OPRK1KDM4EALDH1A1

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-10654967-B2 Polymer compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-19 — — US disclosed
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