SCHEMBL29409142

SCHEMBL29409142

NCc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
HTR3A P46098 1/20 0.61
BACE1 P56817 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
F10 P00742 1/20 0.58
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.51
PSMB8 P28062 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 4/20 0.51
ERBB2 P04626 2/20 0.51
IDO1 P14902 2/20 0.51
KLK1 P06870 1/20 0.51
KLK5 Q9Y337 1/20 0.51
CACNA1H O95180 1/20 0.50
KDM4E B2RXH2 1/20 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
SCHEMBL4354084 1.00 TDP1 (0.70) TDP1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL5204720 0.98 TDP1 (0.68) TDP1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL31164757 0.98 TDP1 (0.68) TDP1HTR3EHTR3BHTR3ABACE1
SCHEMBL1974375 0.86 RAD52 (0.67) TDP1HTR3EHTR3BHTR3ABACE1
SCHEMBL4151145 0.86 TDP1 (0.51) TDP1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL4148629 0.84 TDP1 (0.50) TDP1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL5204712 0.84 TDP1 (0.50) TDP1HTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL30012925 0.84 TDP1 (0.50) TDP1HTR3EHTR3BHTR3ABACE1
SCHEMBL656416 0.84 TDP1 (0.72) TDP1HTR3EHTR3BHTR3ABACE1
SCHEMBL30040705 0.84 TDP1 (0.72) TDP1HTR3EHTR3BHTR3ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237413-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-09-06 EP disclosed
WO-2022094244-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-05-05 WO disclosed
EP-3962906-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 EP disclosed