SCHEMBL9480652

SCHEMBL9480652

C[C](C)Cc1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12764890 0.84 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL10140744 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL30154481 0.78 GABRP (0.61) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL256024 0.78 GABRP (0.61) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL6788044 0.77 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL167654 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL29457418 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL10140749 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL1976605 0.76 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL29515142 0.76 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AATMNPC1

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
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed