SCHEMBL8305469

SCHEMBL8305469

CCc1cc2c(cc1N)NC(=O)CO2.O=S(=O)(O)C1=NCCN1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.36
NR3C2 P08235 1/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 4/20 0.35
THRB P10828 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 2/20 0.35
MMP12 P39900 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3344322 0.81 PARP1 (0.57) PARP1MEN1KMT2ALMNANR3C2
SCHEMBL8306915 0.72 PARP1 (0.50) PARP1MEN1KMT2ALMNANR3C2
SCHEMBL24823314 0.72 PARP1 (0.46) PARP1KMT2ANR3C2TP53THRB
SCHEMBL8307693 0.67 PARP1 (0.43) PARP1KMT2ALMNANR3C2TP53
SCHEMBL560406 0.66
SCHEMBL3342262 0.65 MMP12 (0.57) PARP1MEN1KMT2ALMNAPOLB
SCHEMBL3791777 0.65 PARP1 (0.54) PARP1MEN1KMT2ALMNAMAPT
SCHEMBL12333094 0.64 PARP1 (0.55) PARP1MEN1KMT2ALMNANR3C2
SCHEMBL8303332 0.63 PARP1 (0.45) PARP1MEN1KMT2ANR3C2TP53
SCHEMBL8303156 0.63 MMP12 (0.57) PARP1MEN1KMT2ALMNAPOLB

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
EP-0548254-B1 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN INC (US) 1999-06-02 EP disclosed