SCHEMBL7650665

SCHEMBL7650665

O=c1nc(-c2ccccc2)[nH]n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 5/20 0.46
MAPT P10636 4/20 0.46
ALOX15 P16050 1/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
TYMP P19971 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7656234 0.90 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7652940 0.89 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7654427 0.89 KDM4E (0.60) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7652511 0.89 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7660381 0.89 KMT2A (0.54) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7649045 0.86 HPGD (0.49) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7656717 0.86 MEN1 (0.53) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7655381 0.85 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7652834 0.85 ALKBH5 (0.48) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7659636 0.85 MEN1 (0.51) KDM4EMEN1KMT2AALDH1A1CYP1A2

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-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed