SCHEMBL25652022

SCHEMBL25652022

C1=C(c2ccc(-c3cccc4ccccc34)cc2)NC(c2ccc(-c3ccc(N4c5ccccc5NC4c4ccccc4)cc3)cc2)NC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ABCB1 P08183 6/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL18965449 0.90 RAB9A (0.35) KDM4EABCB1RAB9AALDH1A1MEN1
SCHEMBL19293189 0.80 RAB9A (0.31) RAB9A
SCHEMBL25930109 0.79 KDM4E (0.33) KDM4ERAB9AALDH1A1TSHRHSD17B10
SCHEMBL25930099 0.77 KDM4E (0.34) KDM4ERAB9AALDH1A1TSHRHSD17B10
SCHEMBL18436119 0.75 RAB9A (0.34) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL18965405 0.75 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL22900311 0.74 KDM4E (0.41) KDM4EABCB1RAB9ANPC1USP2
SCHEMBL19622971 0.74 CA12 (0.35) KDM4EALDH1A1
SCHEMBL18965418 0.73 KDM4E (0.35) KDM4EALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL16104341 0.73 RAB9A (0.41) KDM4EABCB1RAB9ANPC1USP2

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-2023113561-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
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