SCHEMBL27363382

SCHEMBL27363382

COc1ccccc1NC(=O)c1ccccc1N

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
METAP2 P50579 1/20 0.67
RAB9A P51151 5/20 0.65
TSHR P16473 3/20 0.65
HSD17B10 Q99714 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
MAPK1 P28482 1/20 0.61
HDAC1 Q13547 1/20 0.61
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
RCE1 Q9Y256 1/20 0.59
PYGL P06737 1/20 0.59
NPC1 O15118 3/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 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
SCHEMBL28729469 0.90 KMT2A (0.65) KMT2AMETAP2RAB9ATSHRHSD17B10
SCHEMBL12368122 0.87 KMT2A (0.79) KMT2AMETAP2RAB9ATSHRHSD17B10
SCHEMBL28850318 0.85 KMT2A (0.59) KMT2AMETAP2RAB9ATSHRHSD17B10
SCHEMBL29963747 0.85 ALDH1A1 (0.55) KMT2AMETAP2RAB9ATSHRHSD17B10
SCHEMBL28475214 0.84 NPC1 (0.74) KMT2ARAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL11743614 0.83 NPC1 (0.72) RAB9AHSD17B10SMN1; SMN2GAAMAPK1
SCHEMBL7721970 0.83 HSD17B10 (0.69) KMT2ARAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6802094 0.83 KMT2A (1.00) KMT2AMETAP2RAB9ATSHRHSD17B10
SCHEMBL11784909 0.83 KMT2A (0.72) KMT2AMETAP2RAB9ATSHRHSD17B10
SCHEMBL2949130 0.83 KMT2A (0.72) KMT2AMETAP2RAB9ATSHRHSD17B10

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-1059722-A 3-aryl-4 (3H) quinazolinone CCK peptide antagonists and pharmaceutical preparation thereof LLI LILLY AND CO (US) 1992-03-25 CN disclosed