SCHEMBL30338243

SCHEMBL30338243

c1cnc2nc(Nc3cccc4ccccc34)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
MAPK1 P28482 1/20 0.40
CCR4 P51679 1/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL904435 0.78 KMT2A (0.68) DHFRALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL27542221 0.74 PLAU (0.58) ALDH1A1HPGDHSD17B10CYP3A4TP53
SCHEMBL6305612 0.72 MAPK8 (0.52) DHFRALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL27420834 0.71 SMN1; SMN2 (0.55) DHFRALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL11806850 0.71 HSD17B10 (0.49) DHFRALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL49213 0.71 HSD17B10 (0.74) ALDH1A1HPGDHSD17B10CYP3A4TP53
SCHEMBL15223284 0.71 NCF1 (0.53) ALDH1A1HPGDHSD17B10CYP3A4TP53
SCHEMBL1602180 0.71 ALDH1A1 (0.47) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL6796333 0.70 EGFR (0.51) DHFRALDH1A1HPGDHSD17B10CYP3A4
Ammonia Solution, Strong SCHEMBL11586421 0.69 HSD17B10 (0.71) ALDH1A1HPGDHSD17B10CYP3A4TP53

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-115997009-A Methods and compositions for in vivo transduction of hematopoietic stem and progenitor cells 美真达治疗公司 2023-04-21 CN disclosed