SCHEMBL17515307

SCHEMBL17515307

COC(=O)C(C)N(Cc1ccccc1O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PLA2G1B P04054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6240712 0.81 BRD4 (0.42) KMT2AMEN1RECQLAKR1B1ALDH1A1
SCHEMBL11826311 0.79 NR1H2 (0.52) NR1H2NR1H3KMT2AMEN1PLA2G1B
SCHEMBL27556937 0.78 KMT2A (0.45) NR1H2NR1H3KMT2AMEN1PLA2G1B
SCHEMBL27616536 0.77 NR1H2 (0.44) NR1H2NR1H3KMT2AMEN1PLA2G1B
SCHEMBL10527071 0.72 KMT2A (0.50) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL30489371 0.72 KMT2A (0.55) NR1H2NR1H3KMT2AMEN1PLA2G1B
SCHEMBL9191050 0.71 KMT2A (0.48) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL28995221 0.71 KMT2A (0.53) NR1H2NR1H3KMT2AMEN1PLA2G1B
Hydrochloric Acid SCHEMBL10590655 0.71 KMT2A (0.53) NR1H2NR1H3KMT2AMEN1PLA2G1B
SCHEMBL3217854 0.69 KMT2A (0.47) KMT2AMEN1PLA2G1BHTTNPSR1

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
US-9896599-B2 Process for preparing poly(benzoxazines) 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-02-20 — — US disclosed
US-20160040037-A1 PROCESS FOR PREPARING POLY(BENZOXAZINES) 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-02-11 — — US disclosed
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