SCHEMBL9041195

SCHEMBL9041195

COc1ccc2oc(-c3ccccc3NC(C)=O)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ TP53 P04637 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ KDR P35968 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ UTRN P46939 1/20 0.50
▸ RXFP1 Q9HBX9 2/20 0.49
▸ CEPT1 Q9Y6K0 1/20 0.49
▸ THRB P10828 2/20 0.49
▸ LMNA P02545 2/20 0.48

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
SCHEMBL9040818 0.89 MAPT (0.52) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL9042363 0.82 RAB9A (0.63) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL8037820 0.79 MAPT (0.55) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL9042945 0.75 DYRK1A (0.76) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL10751610 0.75 KDR (0.51) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL2243350 0.75 RAB9A (0.65) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL2740163 0.75 MAPT (0.57) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL9041717 0.74 STK33 (0.47) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL2244509 0.74 MAPT (0.79) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL2740149 0.73 MAPT (0.60) MAPTALDH1A1TP53KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700906-A1 Heterocyclic derivatives of N-phenylamides BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-13 — — EP disclosed
US-5496826-A ANTICONVULSANTS, MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-05 — — US disclosed
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