SCHEMBL23723122

SCHEMBL23723122

C=N/C(Cl)=C\C(=N/C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.34
▸ ESR1 P03372 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HIF1A Q16665 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
SCHEMBL20908860 0.80 MEN1 (0.32) AKT1MEN1KMT2A
SCHEMBL18868913 0.75 CES2 (0.37) ESR1MEN1KMT2AALDH1A1
SCHEMBL20077791 0.73 DEGS1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL20470769 0.72 AKT1 (0.46) AKT1MEN1KMT2AALDH1A1
SCHEMBL18868783 0.72 AKT1 (0.46) AKT1MEN1KMT2AALDH1A1
SCHEMBL7456390 0.69 ATM (0.39) ESR1MEN1KMT2AALDH1A1HIF1A
SCHEMBL7487833 0.69 ATM (0.39) ESR1MEN1KMT2AALDH1A1HIF1A
SCHEMBL18400550 0.69 GAA (0.39) MEN1KMT2AALDH1A1
SCHEMBL19831082 0.69 TDP1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL13716855 0.69 F2 (0.36) AKT1MEN1KMT2AALDH1A1

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-3305765-B1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-04 — — EP disclosed
Send feedback