SCHEMBL4750226

SCHEMBL4750226

Nc1cc(NC(=O)CCN2CCCC2)cc(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 3/20 0.71
POLB P06746 2/20 0.71
LMNA P02545 2/20 0.71
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 2/20 0.57
CYP2C19 P33261 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TERT O14746 4/20 0.57

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
SCHEMBL4746440 0.89 TERT (0.67) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL4748864 0.88 ALDH1A1 (0.68) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL4750231 0.88 TERT (0.69) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL3012622 0.84 ALDH1A1 (1.00) KMT2AALDH1A1POLBLMNANPC1
SCHEMBL4750027 0.84 KMT2A (0.65) KMT2AALDH1A1POLBLMNANPC1
SCHEMBL4750076 0.83 TERT (0.72) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL4748608 0.83 LMNA (0.60) KMT2AALDH1A1POLBLMNACYP2C19
SCHEMBL14041580 0.82 POLB (0.63) KMT2AALDH1A1POLBLMNANPC1
SCHEMBL13591902 0.82 TERT (0.71) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL14041588 0.82 ALDH1A1 (0.62) KMT2AALDH1A1POLBLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed