SCHEMBL18180508

SCHEMBL18180508

COc1ccc(-c2[nH]c3ccccc3c2N=Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ GSK3B P49841 5/20 0.53
▸ USP2 O75604 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ PTGS2 P35354 1/20 0.48
▸ PTGS1 P23219 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ SYK P43405 1/20 0.47

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
SCHEMBL18160148 0.96 GSK3B (0.55) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL18180611 0.96 GSK3B (0.55) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7915055 0.85 MEN1 (0.65) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7915056 0.85 MEN1 (0.65) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL29284806 0.80 KMT2A (0.57) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL30950638 0.80 KMT2A (0.57) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL19670136 0.77 IDO1 (0.68) KMT2AMEN1MAPTLMNAGSK3B
SCHEMBL18160194 0.77 MAPT (0.68) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL18160189 0.77 MEN1 (0.50) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL19670109 0.75 KMT2A (0.47) KMT2AMEN1MAPTLMNASMN1; SMN2

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-2016172193-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH RESEARCH FOUNDATION (US) 2016-10-27 — — WO disclosed
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