SCHEMBL28250720

SCHEMBL28250720

[CH2]c1cccn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CYP1A2 P05177 2/20 0.38
PKM P14618 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 6/20 0.37
NOTUM Q6P988 1/20 0.35
HTT P42858 1/20 0.34
COMT P21964 1/20 0.34
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL1127502 0.70 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL27939854 0.70 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL8140854 0.70 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL28129191 0.70 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL12971416 0.70 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL8130354 0.70 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL3658913 0.70 ATM (0.48) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL9529824 0.69 ATM (0.42) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL347805 0.68 PCSK9 (0.53) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL29006823 0.68 ATM (0.47) ATMALDH1A1MAPTMEN1KMT2A

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-108779123-A Fused tetracyclic compound, its composition and purposes 泰博生物科技有限公司 2018-11-09 CN disclosed