SCHEMBL28081990

SCHEMBL28081990

O=C(NCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
SRC P12931 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
NHERF1 O14745 1/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53

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
SCHEMBL28082036 0.88 NPC1 (0.64) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL2760055 0.84 HDAC3 (0.60) KDM4ECA12CA1CA2CA9
SCHEMBL6019366 0.81 POLB (0.64) MEN1KMT2AMAPTLMNANHERF1
SCHEMBL28788142 0.81 KDM4E (0.52) KDM4EMAPTCYP19A1HDAC2
SCHEMBL2760003 0.81 SRC (0.83) KDM4ECA12CA1CA2CA9
SCHEMBL6245500 0.81 KDM4E (0.57) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL2735969 0.81 CA12 (0.72) KDM4ECA12CA1CA2CA9
SCHEMBL1415543 0.81 POLB (0.58) KDM4EMAPTLMNAHDAC2
SCHEMBL2735829 0.80 CA12 (0.68) KDM4ECA12CA1CA2CA9
SCHEMBL14845701 0.80 KDM4E (0.72) KDM4ECA12CA1CA2CA9

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
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 CN disclosed