SCHEMBL17505139

SCHEMBL17505139

CCCc1cc2cc([N+](=O)[O-])cc(C)c2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GRIN2D O15399 4/20 0.40
▸ GRIN3B O60391 4/20 0.40
▸ GRIN1 Q05586 4/20 0.40
▸ GRIN2A Q12879 4/20 0.40
▸ GRIN2B Q13224 4/20 0.40
▸ GRIN2C Q14957 4/20 0.40
▸ GRIN3A Q8TCU5 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ POLB P06746 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
SCHEMBL17505172 0.77 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL17505148 0.77 GRIA1 (0.53) ALDH1A1MAPTRECQLKDM4EHPGD
SCHEMBL17505178 0.73 KDM4E (0.61) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL28205755 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTRECQLKDM4E
SCHEMBL3684194 0.71 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7276588 0.71 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL12501407 0.69 NPC1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL11575967 0.69 GPR35 (0.57) ALDH1A1SMN1; SMN2MAPTRECQLKDM4E
SCHEMBL12501374 0.69 APEX1 (0.51) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL14651329 0.69 KMT2A (0.47) ALDH1A1HPGDKMT2ALMNAHTT

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
WO-2016022915-A1 6-SULFONYLAMINO QUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-11 — — WO disclosed
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