SCHEMBL30343722

SCHEMBL30343722

Nc1ccc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 8/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
PKN1 Q16512 3/20 0.60
PKN2 Q16513 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
HPGD P15428 6/20 0.59
HSD17B10 Q99714 5/20 0.59
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RHEB Q15382 1/20 0.59
MAPT P10636 7/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
NPC1 O15118 6/20 0.58

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
SCHEMBL15569849 1.00 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2APKN1
SCHEMBL30533210 0.90 MEN1 (0.73) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL1655753 0.90 MEN1 (0.73) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL6263502 0.89 ALDH1A1 (0.58) KDM4EALDH1A1MEN1KMT2APKN1
SCHEMBL22906080 0.89 ALDH1A1 (0.58) KDM4EALDH1A1MEN1KMT2APKN1
SCHEMBL30307784 0.88 ALDH1A1 (0.74) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL28312335 0.88 ALDH1A1 (0.74) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL159873 0.88 ALDH1A1 (0.74) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL8769051 0.88 MEN1 (0.71) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL23999512 0.87 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2APKN1

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
CN-110234640-B Benzimidazole derivatives as anticancer agents 利昂贝拉尔中心 2023-04-07 CN disclosed