SCHEMBL21574471

SCHEMBL21574471

CCc1ccccc1C1=NCCN1c1c(C)cccc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.48
▸ PTAFR P25105 11/20 0.47
▸ DNMT1 P26358 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ UHRF1 Q96T88 1/20 0.44
▸ EED O75530 1/20 0.41
▸ DCAF15 Q66K64 1/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ SMARCA2 P51531 1/20 0.38

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
SCHEMBL15573316 0.71 CA1 (0.46) HDAC8PTAFRHDAC5HDAC4CA1
SCHEMBL10822678 0.69 HDAC8 (0.50) HDAC8PTAFRDNMT1RAD52UHRF1
Hydrochloric Acid SCHEMBL3150169 0.69 PTAFR (0.44) HDAC8PTAFRDNMT1RAD52UHRF1
SCHEMBL1132663 0.66 MYC (0.50) CA1CA2CA7
SCHEMBL5599467 0.66 CSNK2A2 (0.49) —
SCHEMBL2493946 0.65 DNMT1 (0.62) HDAC8PTAFRDNMT1RAD52UHRF1
SCHEMBL29381488 0.65 DPP4 (0.56) —
SCHEMBL18622666 0.65 SIGMAR1 (0.53) DNMT1RAD52UHRF1CA1CA2
SCHEMBL8537937 0.65 P2RX7 (0.45) —
SCHEMBL14344691 0.64 PDCD1LG2 (0.45) HDAC8PTAFRDNMT1RAD52UHRF1

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
EP-3333174-B1 ANCILLARY LIGANDS FOR ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORP (US) 2019-11-20 — — EP disclosed
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