SCHEMBL11620122

SCHEMBL11620122

CN(Cc1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 5/20 0.63
MAPT P10636 5/20 0.61
ALDH1A1 P00352 5/20 0.61
PKM P14618 1/20 0.61
BAZ1A Q9NRL2 2/20 0.58
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 3/20 0.52
CTDSP1 Q9GZU7 2/20 0.52
DDX3X O00571 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL11614038 0.85 ALDH1A1 (0.58) KMT2AMEN1MAPTALDH1A1BAZ1A
SCHEMBL11617206 0.82 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1BAZ1A
SCHEMBL11616832 0.81 CA12 (0.52) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL11168593 0.80 MTOR (0.71) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL11061703 0.78 SMN1; SMN2 (0.69) KMT2AMEN1MAPTALDH1A1BAZ1A
SCHEMBL7617456 0.77 SMN1; SMN2 (0.68) KMT2AMEN1MAPTALDH1A1BAZ1A
SCHEMBL3119081 0.77 BAZ1A (0.64) KMT2AMEN1ALDH1A1BAZ1ASMN1; SMN2
SCHEMBL11144060 0.77 ALDH1A1 (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6396333 0.75 LMNA (0.79) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11617516 0.74 NAMPT (0.67) KMT2AMAPTALDH1A1BAZ1ALMNA

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-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed