SCHEMBL25757979

SCHEMBL25757979

Nc1ccc2c(N)c3cc(N)ccc3nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
LMNA P02545 3/20 0.64
TERT O14746 1/20 0.64
ABCB11 O95342 1/20 0.64
THRB P10828 1/20 0.64
BLM P54132 1/20 0.64
MDM4 O15151 1/20 0.53
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
ACHE P22303 5/20 0.50
CHRM2 P08172 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50

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
SCHEMBL17066272 0.91 MDM4 (0.61) KMT2AMEN1LMNATERTABCB11
SCHEMBL21214906 0.87 MEN1 (0.56) KMT2AMEN1LMNATERTABCB11
SCHEMBL4163642 0.86 KDM4E (0.72) KMT2AMEN1LMNATERTABCB11
SCHEMBL4154837 0.86 KDM4E (0.72) KMT2AMEN1LMNATERTABCB11
Hydrochloric Acid SCHEMBL28959157 0.84 RAB9A (0.73) KMT2AMEN1LMNATERTABCB11
SCHEMBL25757947 0.83 APP (0.74) KMT2AMEN1LMNATERTABCB11
Ethacridine SCHEMBL29456272 0.79 MEN1 (1.00) KMT2AMEN1LMNATERTABCB11
Ethacridine SCHEMBL11662539 0.79 MEN1 (1.00) KMT2AMEN1LMNATERTABCB11
Ethacridine SCHEMBL193949 0.79 MEN1 (1.00) KMT2AMEN1LMNATERTABCB11
Ethacridine SCHEMBL30310148 0.79 MEN1 (1.00) KMT2AMEN1LMNATERTABCB11

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
WO-2023116397-A1 INNATE IMMUNE-ACTIVATING DRUG AND USE THEREOF 珞达生物医药(苏州)有限公司 2023-06-29 WO disclosed