Sugi Predict

Sugi Predict / Compounds / SCHEMBL23966391

SCHEMBL23966391

SCHEMBL23966391

C1=CCCC(c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(C5C=CC=CC5)c4)n3)c2)=C1

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KLF5 Q13887 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL29314000 0.89 MEN1 (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL23640992 0.88 RAB9A (0.38) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL18902822 0.84 KDM4E (0.34) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL19074719 0.84 RAB9A (0.38) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL22699419 0.83 — —
SCHEMBL21546190 0.82 KDM4E (0.39) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL21889634 0.81 KDM4E (0.31) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL13190924 0.80 — —
SCHEMBL15828113 0.78 GRM5 (0.36) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL23193606 0.77 — —

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
EP-3674308-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-11-03 — — EP disclosed