SCHEMBL9871624

SCHEMBL9871624

COC(=O)NC(=O)CC1C(=O)N(C)C(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9870526 0.83 CHRM3 (0.36) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL9870662 0.74 LMNA (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL8804810 0.73 HSD17B10 (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL7955798 0.70 HTR2A (0.44) ALDH1A1HPGDSMN1; SMN2KMT2ACYP1A2
SCHEMBL11789560 0.66 CYP1A2 (0.45) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3218873 0.65 NR1H2 (0.46) ALDH1A1KDM4EPOLBKMT2ACYP1A2
SCHEMBL11840093 0.65 CASP3 (0.47) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL8174003 0.65 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2POLBKMT2A
SCHEMBL7052087 0.65 KMT2A (0.46) POLBKMT2AGAA
SCHEMBL23505970 0.64 MAPT (0.47) TSHRPOLBKMT2A

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-4983613-A Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US claimed
US-4983613-A Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US disclosed