SCHEMBL4629902

SCHEMBL4629902

COC(=O)c1ccc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.57
NQO2 P16083 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GABRP O00591 5/20 0.51
GABRD O14764 5/20 0.51
GABRA1 P14867 5/20 0.51
GABRB1 P18505 5/20 0.51
GABRG2 P18507 5/20 0.51
GABRB3 P28472 5/20 0.51
GABRA5 P31644 5/20 0.51
GABRA3 P34903 5/20 0.51
GABRA2 P47869 5/20 0.51
GABRB2 P47870 5/20 0.51
GABRA4 P48169 5/20 0.51
GABRE P78334 5/20 0.51
GABRA6 Q16445 5/20 0.51
GABRG1 Q8N1C3 5/20 0.51
GABRG3 Q99928 5/20 0.51
GABRQ Q9UN88 5/20 0.51

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
SCHEMBL8425209 0.86 NQO2 (0.55) NQO2MEN1KMT2AGABRPGABRD
SCHEMBL3676424 0.85 GPR84 (0.58) GPR84NQO2MEN1KMT2AGABRP
SCHEMBL30844121 0.85 NQO2 (0.54) NQO2MEN1KMT2AGABRPGABRD
SCHEMBL28902306 0.82 NPC1 (0.61) GPR84NQO2MEN1KMT2AMAPT
SCHEMBL29251331 0.81 KMT2A (0.57) NQO2MEN1KMT2AGABRPGABRD
SCHEMBL29251301 0.80 NQO2 (0.46) NQO2MEN1KMT2AGABRPGABRD
SCHEMBL13302316 0.80 HTR7 (0.51) GPR84NQO2MEN1KMT2AGABRP
SCHEMBL8544378 0.80 GPR84 (0.54) GPR84NQO2MEN1KMT2AGABRP
SCHEMBL31744889 0.79 GPR84 (0.68) GPR84MEN1KMT2AHTR2A
SCHEMBL27929617 0.79 NQO2 (0.61) GPR84NQO2MEN1KMT2AGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843548-A Benzyl indole HDAC inhibitor and pharmaceutical application thereof 南京医科大学 2024-04-09 CN disclosed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO disclosed