SCHEMBL6969553

SCHEMBL6969553

COC(=CN(C)C)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.49
CYP11B2 P19099 3/20 0.49
TSHR P16473 1/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CES2 O00748 5/20 0.47
CES1 P23141 5/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.45
EGFR P00533 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL6969551 1.00 CYP11B1 (0.49) CYP11B1CYP11B2TSHRRAB9AALDH1A1
SCHEMBL21051326 0.81 MAOB (0.61) CYP11B1CYP11B2RAB9AALDH1A1SMN1; SMN2
SCHEMBL21051327 0.81 MAOB (0.61) CYP11B1CYP11B2RAB9AALDH1A1SMN1; SMN2
SCHEMBL1081436 0.81 ALDH1A1 (0.45) TSHRRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL1081432 0.81 ALDH1A1 (0.45) TSHRRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL9642050 0.80 TSHR (0.56) TSHRRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL3559979 0.79 CES2 (0.52) RAB9AALDH1A1KMT2ASMN1; SMN2CES2
SCHEMBL5216998 0.77 CES2 (0.50) RAB9AALDH1A1KMT2ASMN1; SMN2CES2
SCHEMBL14368161 0.77 CES2 (0.54) RAB9AALDH1A1KMT2ASMN1; SMN2CES2
SCHEMBL8798863 0.77 CES2 (0.54) RAB9AALDH1A1KMT2ASMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed