SCHEMBL27148653

SCHEMBL27148653

NNc1cc(-c2ccc(N)cc2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.48
HDAC1 Q13547 6/20 0.44
HDAC2 Q92769 9/20 0.43
HDAC3 O15379 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
KIF11 P52732 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SNCA P37840 1/20 0.36

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
SCHEMBL5017278 0.83 TDP1 (0.48) CYP3A4TDP1ALDH1A1TP53HDAC1
SCHEMBL1708815 0.81 CASP1 (0.39) CYP3A4TDP1ALDH1A1TP53MEN1
SCHEMBL3783607 0.81 HDAC2 (0.46) CYP3A4TDP1ALDH1A1TP53HDAC1
Hydrochloric Acid SCHEMBL28948690 0.81 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1TP53HDAC1
Water SCHEMBL28643226 0.79 HDAC2 (0.45) CYP3A4TDP1ALDH1A1TP53HDAC1
SCHEMBL3507045 0.78 TDP1 (0.42) CYP3A4TDP1ALDH1A1TP53HDAC1
SCHEMBL10707842 0.76 HDAC1 (0.43) CYP3A4TDP1ALDH1A1TP53HDAC1
SCHEMBL21297 0.74 TDP1 (0.78) CYP3A4TDP1ALDH1A1TP53MEN1
SCHEMBL18045653 0.72 ALOX15 (0.57) CYP3A4TDP1ALDH1A1TP53HDAC1
Hydrochloric Acid SCHEMBL6207952 0.72 TDP1 (0.74) CYP3A4TDP1ALDH1A1TP53MEN1

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-2024041574-A1 NON-INVASIVE METHODS USING ANTI-CLDN18.2 ANTIBODY-RADIONUCLIDE CONJUGATES Suzhou Transcenta Therapeutics Co., Ltd. (CN) 2024-02-29 WO disclosed