SCHEMBL25874704

SCHEMBL25874704

Nc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5-c5ccccc5-c5cccc(-c6nc7ccccc7s6)c5)c4)n3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.70
▸ MAPT P10636 10/20 0.70
▸ RAB9A P51151 10/20 0.70
▸ MEN1 O00255 9/20 0.70
▸ KMT2A Q03164 9/20 0.70
▸ NPC1 O15118 8/20 0.70
▸ ALDH1A1 P00352 7/20 0.70
▸ NFKB1 P19838 4/20 0.70
▸ NFKB2 Q00653 4/20 0.70
▸ RELA Q04206 4/20 0.70
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ GAA P10253 7/20 0.55
▸ POLB P06746 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ GLA P06280 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ PKM P14618 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ CASP1 P29466 2/20 0.55
▸ CASP7 P55210 2/20 0.55

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
SCHEMBL26269087 0.90 APP (0.56) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL25864794 0.88 RAB9A (0.56) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL25874357 0.86 RAB9A (0.56) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL25875040 0.86 RAB9A (0.56) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL19369706 0.85 RAB9A (0.65) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL30776283 0.83 RAB9A (1.00) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL2242693 0.83 RAB9A (1.00) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL27049348 0.82 RAB9A (0.61) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL23099244 0.81 APP (0.49) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL22177682 0.81 RAB9A (0.49) KDM4EMAPTRAB9AMEN1KMT2A

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-2023140649-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-27 — — WO disclosed
Send feedback