SCHEMBL20159233

SCHEMBL20159233

CNCCNc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
IDO1 P14902 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.39
EPHB3 P54753 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL9421891 0.89 MAPT (0.52) MAPTHTTIDO1MEN1KMT2A
SCHEMBL10734735 0.88 TAAR1 (0.48) TAAR1MAPTHTTIDO1MEN1
SCHEMBL7533377 0.81 HTT (0.49) MAPTHTTIDO1MEN1KMT2A
SCHEMBL29415424 0.80 MAPT (0.52) TAAR1MAPTHTTIDO1MEN1
SCHEMBL328847 0.80 MAPT (0.52) TAAR1MAPTHTTIDO1MEN1
SCHEMBL11505439 0.78 MAPT (0.47) MAPTHTTIDO1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL8970822 0.78 MAPT (0.50) TAAR1MAPTHTTIDO1MEN1
SCHEMBL9615522 0.78 KAT2B (0.53) TAAR1MAPTHTTIDO1MEN1
SCHEMBL9069882 0.78 NR4A2 (0.53) MAPTHTTIDO1MEN1KMT2A
SCHEMBL4162443 0.77 MAPT (0.46) MAPTHTTIDO1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed