SCHEMBL28465019

SCHEMBL28465019

CC(C)(C)c1ccc(-c2c(N)cc(Cl)cc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HSD17B2 P37059 2/20 0.42
▸ KIF11 P52732 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ HPGD P15428 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
SCHEMBL28708864 0.79 KIF11 (0.47) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL28986080 0.79 S1PR1 (0.47) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL28318702 0.79 NPC1 (0.50) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL14666772 0.77 CNR1 (0.51) NPC1RAB9AGAAKIF11CNR1
SCHEMBL28349136 0.76 NPC1 (0.44) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL22231981 0.75 POLB (0.44) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL5058981 0.74 NPC1 (0.42) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL5049965 0.73 KIF11 (0.56) NPC1RAB9AKMT2AMEN1KIF11
SCHEMBL22232046 0.72 POLB (0.40) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL18199870 0.71 KMT2A (0.61) NPC1RAB9AALDH1A1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111556866-B Polycyclic compound and organic electronic element including the same 株式会社LG化学 2023-11-14 — — CN disclosed
CN-113853694-A Organic light emitting device 株式会社LG化学 2021-12-28 — — CN disclosed
CN-112585145-A Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2021-03-30 — — CN disclosed
CN-112106218-A Organic light emitting diode 株式会社LG化学 2020-12-18 — — CN disclosed
CN-111656548-A Organic light emitting device 株式会社LG化学 2020-09-11 — — CN disclosed
CN-111556866-A Polycyclic compound and organic electronic element comprising same 株式会社LG化学 2020-08-18 — — CN disclosed
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