SCHEMBL8883369

SCHEMBL8883369

COCCCOc1ccnc(C(=O)NC(=O)CN)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 8/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
BRAF P15056 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL8881872 0.90 SMN1; SMN2 (0.39) HPGDKMT2AMEN1KDM4ELMNA
SCHEMBL8882636 0.89 SMN1; SMN2 (0.39) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8882455 0.89 PTPN1 (0.41) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL8882459 0.89 IKBKB (0.39) HPGDKMT2AMEN1IKBKBALDH1A1
SCHEMBL8882969 0.88 PTPN1 (0.43) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL8884435 0.87 TDP1 (0.42) IKBKBTDP1KDM4ELMNAL3MBTL1
SCHEMBL8883715 0.86 SMN1; SMN2 (0.37) HPGDKMT2AIKBKBALDH1A1TDP1
SCHEMBL8881773 0.85 HTT (0.40) TDP1KDM4EGAAHTT
SCHEMBL8882412 0.84 MEN1 (0.47) HPGDKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8882517 0.83 LNPEP (0.36) HPGDIKBKBALDH1A1KDM4EL3MBTL1

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
US-5620995-A Substituted heterocyclic carboxyamides, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed