SCHEMBL10839892

SCHEMBL10839892

COc1ccccc1N1CCN(Cc2ccc(O)c3ncccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ LMNA P02545 5/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ HTT P42858 4/20 1.00
▸ NFKB1 P19838 3/20 1.00
▸ NFKB2 Q00653 3/20 1.00
▸ RELA Q04206 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ RAB9A P51151 2/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ MPI P34949 2/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ KDM4E B2RXH2 7/20 0.73
▸ TP53 P04637 6/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ TDP1 Q9NUW8 3/20 0.73
▸ HSD17B10 Q99714 2/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ PAX8 Q06710 1/20 0.73
▸ KLF5 Q13887 1/20 0.73

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
SCHEMBL10839114 0.89 MAPT (0.80) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL27253781 0.84 MAPT (1.00) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL27256997 0.84 MAPT (0.79) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL27253885 0.83 MAPT (0.71) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL2518179 0.83 KDM4E (0.86) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL27254151 0.82 MAPT (0.75) MAPTLMNASMN1; SMN2HTTNFKB1
Hydrochloric Acid SCHEMBL5594620 0.82 KDM4E (0.83) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL27253985 0.81 MAPT (0.68) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL13310327 0.80 KDM4E (0.76) MAPTLMNASMN1; SMN2HTTNFKB1
SCHEMBL10507781 0.80 MAPT (0.67) MAPTLMNASMN1; SMN2HTTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092083-A1 SMALL MOLECULAR WEIGHT CHEMICAL COMPOUND TO ANTAGONIZE EPH-EPHRIN TETRAMERIZATION AND INHIBIT BIDIRECTIONAL SIGNALING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-02 — — WO disclosed
US-4629728-A ANTIISCHEMIC AND -METABOLIC AGENTS ADIR S.A.R.L. (FR) 1986-12-16 — — US disclosed
Send feedback