SCHEMBL29967657

SCHEMBL29967657

O=C(O)c1ccc2nc(Cl)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
CDH1 P12830 1/20 0.54
APC P25054 1/20 0.54
CTNNB1 P35222 1/20 0.54
TCF7L2 Q9NQB0 1/20 0.54
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPT P10636 2/20 0.46
MGAM O43451 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1574747 1.00 TDP1 (0.54) TDP1CDH1APCCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL11208994 0.98 TDP1 (0.53) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL11144403 0.93 TDP1 (0.54) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL29967465 0.93 TDP1 (0.54) TDP1CDH1APCCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL10584298 0.92 TDP1 (0.53) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL5007899 0.86 ALDH1A1 (0.46) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL25527753 0.85 ALDH1A1 (0.49) TDP1CDH1APCCTNNB1TCF7L2
SCHEMBL15060475 0.81 GSK3B (0.46) CDH1APCCTNNB1TCF7L2RAB9A
SCHEMBL21818455 0.81 HTT (0.52) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL11088871 0.81 ALDH1A1 (0.62) TDP1CDH1APCCTNNB1TCF7L2

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-3614141-B1 STABLE URINE INDICATOR WITH LONG-TERM DETECTION AND METHOD FOR ITS PREPARATION AXAGARIUS GMBH & CO KG (DE) 2022-10-05 EP disclosed