SCHEMBL9040818

SCHEMBL9040818

CNC(=O)Nc1ccccc1-c1nc2cc(OC)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.52
▸ KDR P35968 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TP53 P04637 5/20 0.48
▸ AGPAT2 O15120 1/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ CEPT1 Q9Y6K0 1/20 0.48
▸ THRB P10828 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL9041195 0.89 MAPT (0.56) MAPTKDRALDH1A1KDM4EHPGD
SCHEMBL9045395 0.83 HSD17B10 (0.56) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8037820 0.77 MAPT (0.55) MAPTKDRALDH1A1KDM4EHPGD
SCHEMBL9044208 0.76 STK33 (0.46) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10751610 0.73 KDR (0.51) MAPTKDRALDH1A1KDM4EHPGD
SCHEMBL2740163 0.73 MAPT (0.57) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL2740149 0.72 MAPT (0.60) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28559369 0.71 SMN1; SMN2 (0.66) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL14560096 0.71 IGF1R (0.59) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2740195 0.71 MAPT (0.57) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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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