SCHEMBL5862791

SCHEMBL5862791

CCCCCC(=O)NCc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
HPGD P15428 3/20 0.63
ALOX15 P16050 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
EPHX2 P34913 1/20 0.60
HSD17B10 Q99714 1/20 0.59
POLB P06746 1/20 0.58
ALDH1A1 P00352 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
ATM Q13315 1/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54

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
Hydrochloric Acid SCHEMBL29008440 0.97 SMN1; SMN2 (0.68) SMN1; SMN2HPGDALOX15TDP1KDM4E
SCHEMBL1696118 0.95 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1KDM4E
SCHEMBL30608941 0.95 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1KDM4E
SCHEMBL12125320 0.91 SMN1; SMN2 (0.80) SMN1; SMN2HPGDALOX15TDP1KDM4E
SCHEMBL1690435 0.89 HPGD (0.68) SMN1; SMN2HPGDALOX15TDP1CYP3A4
SCHEMBL9351419 0.85 SMN1; SMN2 (0.72) SMN1; SMN2HPGDALOX15TDP1KDM4E
SCHEMBL21998668 0.85 KMT2A (0.56) SMN1; SMN2HPGDCYP1A2EPHX2HSD17B10
SCHEMBL21998738 0.85 KMT2A (0.56) SMN1; SMN2HPGDCYP1A2EPHX2HSD17B10
SCHEMBL21998743 0.85 KMT2A (0.56) SMN1; SMN2HPGDCYP1A2EPHX2HSD17B10
SCHEMBL2186652 0.85 KMT2A (0.56) SMN1; SMN2HPGDCYP1A2EPHX2HSD17B10

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-7060752-B2 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY (US) 2006-06-13 US disclosed
US-20040087726-A1 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY 2004-05-06 US disclosed