SCHEMBL20169564

SCHEMBL20169564

C=N/C(=C\C=C/C)c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ DHODH Q02127 1/20 0.33

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
SCHEMBL22650171 0.91 KDM4E (0.36) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL22147418 0.85 CNR1 (0.37) KDM4ETDP1
SCHEMBL22085115 0.85 MAPK1 (0.38) KDM4ETDP1TRPV1ABL1BCR
SCHEMBL21099046 0.85 DHODH (0.34) KDM4ENPC1RAB9ACHEK2LMNA
SCHEMBL21721928 0.84 CHEK2 (0.40) TRPV1ABL1BCRSIRT1NPC1
SCHEMBL20169567 0.81 KAT6A (0.35) KDM4ETDP1RAB9ALMNAHTT
SCHEMBL21098947 0.80 SIRT2 (0.33) KDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL25524171 0.80 KDM4E (0.31) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL20901312 0.80 KDM4E (0.47) KDM4ETDP1RAB9AALDH1A1CYP1A2
SCHEMBL19053749 0.79 MAPK8 (0.34) KDM4EALDH1A1LMNASMN1; SMN2

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
US-9978955-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-22 — — US disclosed
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