SCHEMBL27040102

SCHEMBL27040102

Clc1cc2nc(-c3cccc(Nc4ccc(-c5ccccc5)nn4)c3)[nH]c2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ RHEB Q15382 3/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ PRSS12 P56730 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL31592911 1.00 NR2E3 (0.44) NR2E3RHEBMEN1KMT2AALDH1A1
SCHEMBL31592876 0.89 MEN1 (0.41) NR2E3MEN1KMT2AALDH1A1NPC1
SCHEMBL31592780 0.88 ALDH1A1 (0.58) NR2E3MEN1KMT2AALDH1A1NPC1
SCHEMBL31592813 0.87 ALDH1A1 (0.39) NR2E3MEN1KMT2AALDH1A1NPC1
SCHEMBL31592951 0.86 MMP2 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL27040119 0.86 MMP2 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31592879 0.83 CTSC (0.47) NR2E3RHEBMEN1KMT2AALDH1A1
SCHEMBL31592954 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31592961 0.82 KDM4E (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL27040061 0.82 KDM4E (0.47) MEN1KMT2AALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 — — WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 — — WO disclosed
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