SCHEMBL7406263

SCHEMBL7406263

CCOC(=O)c1nc(CN)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
CYP2C19 P33261 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2594514 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL15110981 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL15111012 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL4721794 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL855435 0.84 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7618086 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL6121694 0.83 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL21594910 0.83 MEN1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28632578 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL28646026 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-5015641-A Dipeptide for vision defects ANDREWS DAVID R (US) 1991-05-14 US disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
EP-0195817-B1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1989-10-18 EP disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 US disclosed
EP-0195817-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SCHERING CORP (US) 1986-10-01 EP disclosed
WO-1986001803-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-27 WO disclosed