SCHEMBL9755022

SCHEMBL9755022

CCCCCNC(=O)c1cnccn1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.97
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.55
NAAA Q02083 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL3924178 0.98 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3614618 0.98 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL18896226 0.98 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20152243 0.98 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6359528 0.95 KDM4E (0.88) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL27650606 0.93 KDM4E (0.89) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6360168 0.89 KDM4E (0.77) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
Formamide SCHEMBL8056562 0.88 KDM4E (0.77) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30096713 0.85 KDM4E (0.72) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13197134 0.84 KDM4E (0.71) KDM4EKMT2ASMN1; SMN2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991005771-A1 LIPOPHILIC ACYLPYRAZINAMIDE PRODRUGS SCHREIER HANS (US) 1991-05-02 WO claimed
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
WO-1991005771-A1 LIPOPHILIC ACYLPYRAZINAMIDE PRODRUGS SCHREIER HANS (US) 1991-05-02 WO disclosed
WO-1991005771-A1 LIPOPHILIC ACYLPYRAZINAMIDE PRODRUGS SCHREIER HANS (US) 1991-05-02 WO disclosed