SCHEMBL26401166

SCHEMBL26401166

O=C(CN1CCNCC1)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)CC4)C=C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ TOP1 P11387 1/20 0.42
▸ CYCS P99999 3/20 0.41
▸ KDR P35968 2/20 0.40
▸ KHK P50053 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16920382 0.88 MEN1 (0.50) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL16923738 0.87 JAK3 (0.45) JAK3MEN1KMT2ANPC1TP53
SCHEMBL16912670 0.84 ALDH1A1 (0.50) JAK3MEN1KMT2AKDM4EALDH1A1
SCHEMBL16923657 0.84 MEN1 (0.53) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL16920366 0.81 MEN1 (0.53) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17934755 0.79 TOP1 (0.52) KDM4ETOP1CYCSKDR
SCHEMBL16923748 0.76 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL16912677 0.76 TOP1 (0.54) JAK3MEN1KMT2ANPC1RAB9A
SCHEMBL16923713 0.75 TOP1 (0.36) MEN1KMT2ATOP1CYCS
SCHEMBL16923708 0.75 TOP1 (0.36) MEN1KMT2ATOP1CYCS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3038619-B1 COMPOUND AND METHOD FOR VACCINATION AND IMMUNISATION PCI BIOTECH AS (NO) 2023-10-04 — — EP disclosed
EP-3185901-B1 COMPOUND AND METHOD PCI BIOTECH AS (NO) 2023-10-04 — — EP disclosed
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