SCHEMBL19333571

SCHEMBL19333571

COc1cc2ccc3cc(OC)c(N4C(=O)C=CC4=O)cc3c2cc1N1C(=O)C=CC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.58
▸ TLR9 Q9NR96 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ CCR6 P51684 1/20 0.58
▸ CACNA1B Q00975 1/20 0.58
▸ APBA1 Q02410 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ APOBEC3G Q9HC16 1/20 0.58
▸ G6PD P11413 1/20 0.58
▸ MGLL Q99685 6/20 0.54
▸ MCL1 Q07820 1/20 0.39
▸ TSHR P16473 1/20 0.36
▸ BRD1 O95696 1/20 0.36
▸ BRPF1 P55201 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL31179956 0.75 TLR9 (0.72) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL19333574 0.75 MGLL (0.62) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL11349809 0.74 ALDH1A1 (0.87) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL9500193 0.74 G6PD (0.75) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL14366663 0.74 MGLL (0.61) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL10480245 0.74 ALDH1A1 (1.00) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL14656898 0.74 G6PD (0.70) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL10705337 0.74 MGLL (0.61) HSP90AA1TLR9MAPTALDH1A1PKM
SCHEMBL19335980 0.73 TLR9 (0.43) HSP90AA1TLR9ALDH1A1PKMMAPK1
SCHEMBL10480174 0.72 MGLL (0.59) HSP90AA1TLR9MAPTALDH1A1PKM

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-9761804-B2 Oligomeric organic light emitting diode (OLED) materials containing multiple crosslinking functions LOMOX LIMITED (GB) 2017-09-12 — — US disclosed
US-9761804-B2 Oligomeric organic light emitting diode (OLED) materials containing multiple crosslinking functions LOMOX LIMITED (GB) 2017-09-12 — — US disclosed
Send feedback