SCHEMBL24028847

SCHEMBL24028847

c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccc5ccccc5c4c4sc5ccc6ccccc6c5c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ F9 P00740 2/20 0.34
▸ LIMK1 P53667 2/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL24029126 0.98 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24029007 0.98 F9 (0.34) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24029005 0.97 F9 (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24028549 0.97 ESR1 (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24028776 0.97 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24028771 0.95 MAPT (0.35) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24029166 0.95 MAPT (0.35) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24029161 0.95 MAPT (0.35) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24193037 0.93 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24028761 0.93 MAPT (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
WO-2021230654-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 — — WO disclosed
Send feedback