SCHEMBL29520018

SCHEMBL29520018

CN1CCN(c2cc3nc4n(c(=O)c3cc2F)CC/C4=C\c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 7/20 0.64
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ BLM P54132 4/20 0.53
▸ HDAC3 O15379 6/20 0.52
▸ HDAC4 P56524 6/20 0.52
▸ HDAC1 Q13547 6/20 0.52
▸ HDAC7 Q8WUI4 6/20 0.52
▸ HDAC2 Q92769 6/20 0.52
▸ HDAC10 Q969S8 6/20 0.52
▸ HDAC11 Q96DB2 6/20 0.52
▸ HDAC8 Q9BY41 6/20 0.52
▸ HDAC6 Q9UBN7 6/20 0.52
▸ HDAC9 Q9UKV0 6/20 0.52
▸ HDAC5 Q9UQL6 6/20 0.52

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
SCHEMBL29520160 0.88 NME2 (0.66) NME2MEN1KMT2ABLMHDAC3
SCHEMBL29519694 0.79 MEN1 (0.66) NME2MEN1KMT2ABLM
SCHEMBL29519914 0.79 MEN1 (0.58) NME2MEN1KMT2ABLM
SCHEMBL29519915 0.75 NME2 (0.55) NME2MEN1KMT2ABLM
SCHEMBL29519764 0.73 MEN1 (0.64) NME2MEN1KMT2A
SCHEMBL29520059 0.71 MEN1 (0.65) NME2MEN1KMT2A
SCHEMBL29519827 0.70 RAB9A (0.66) NME2MEN1KMT2A
SCHEMBL21993211 0.70 MEN1 (0.63) NME2MEN1KMT2A
SCHEMBL21993213 0.69 MEN1 (0.74) NME2MEN1KMT2A
SCHEMBL29519693 0.69 RAB9A (0.67) NME2MEN1KMT2A

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
CN-114249733-B Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2023-05-12 — — CN disclosed
CN-114249733-A Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2022-03-29 — — CN disclosed
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