SCHEMBL24613007

SCHEMBL24613007

CC(C)N1c2cccc3cccc(c23)N(C(C)CC2CCC2)C1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPT P10636 2/20 0.34
▸ CCKBR P32239 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ NSD2 O96028 1/20 0.30
▸ APP P05067 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL24613060 0.85 CCKBR (0.34) CCKBR
SCHEMBL17916662 0.81 ALDH1A1 (0.57) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL24613006 0.70 ACACB (0.34) KDM4EALDH1A1
SCHEMBL17916655 0.65 GAA (0.35) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL24613008 0.65 OPRM1 (0.36) GAAKMT2AMEN1
SCHEMBL17916664 0.63 KDM4E (0.35) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL8318923 0.61 KMT2A (0.41) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL29706734 0.57 ACP3 (0.60) ALDH1A1HSD17B10
SCHEMBL7130966 0.56 ALDH1A1 (0.59) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL14502173 0.55 IDO1 (0.34) CCKBR

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
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 — — US disclosed
US-11383266-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-07-12 — — US disclosed
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