SCHEMBL11530868

SCHEMBL11530868

NCCc1nnn(CC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 2/20 0.39
RECQL P46063 1/20 0.38
HPGD P15428 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
SCHEMBL3742035 0.81 MEN1 (0.47) PKMATMHSD17B10MEN1KMT2A
SCHEMBL18839851 0.79 PKM (0.47) PKMATMHSD17B10MEN1KMT2A
SCHEMBL6943164 0.78 PKM (0.42) PKMATMHSD17B10MEN1KMT2A
SCHEMBL20223345 0.78 PKM (0.50) PKMATMHSD17B10MEN1KMT2A
SCHEMBL7509741 0.77 PKM (0.43) PKMATMHSD17B10
SCHEMBL7510796 0.77 PKM (0.43) PKMATMHSD17B10
Butane SCHEMBL7508596 0.76 PKM (0.42) PKMATMHSD17B10
SCHEMBL1786678 0.74 CYP1A2 (0.34)
SCHEMBL20222971 0.74 PKM (0.43) PKMATMHSD17B10MEN1KMT2A
SCHEMBL17686526 0.73 ALDH1A1 (0.47) PKMATMHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US disclosed