SCHEMBL7978366

SCHEMBL7978366

Cc1ccc(-c2[nH]c(-c3ccccc3[N+](=O)[O-])nc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
EIF4E P06730 6/20 0.51
GUSB P08236 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
PIN1 Q13526 2/20 0.45
CDC7 O00311 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL7995228 0.86 CACNA1D (0.47) GAAMGAMSIMGAM2EIF4E
SCHEMBL7977380 0.81 MEN1 (0.56) GAAGUSBMEN1KMT2AALDH1A1
SCHEMBL7978027 0.80 KDM4E (0.67) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7991805 0.80 KDM4E (0.48) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7988821 0.80 KMT2A (0.52) GAAMGAMSIMGAM2EIF4E
SCHEMBL7989916 0.76 IDO1 (0.50) GAAGUSBMEN1KMT2AALDH1A1
SCHEMBL7988654 0.75 MMP2 (0.57) GUSBMEN1KMT2AALDH1A1KDM4E
SCHEMBL27987460 0.75 MGAM (0.58) GAAMGAMSIMGAM2GUSB
SCHEMBL7977763 0.74 CTRC (0.53) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7977822 0.74 KDM4E (0.47) GAAMEN1KMT2AALDH1A1KDM4E

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed