SCHEMBL29409182

SCHEMBL29409182

NC12CC(C(=O)NCc3ccc(C(F)(F)F)cn3)(C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
BACE1 P56817 1/20 0.45
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GLS O94925 2/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PTGS1 P23219 1/20 0.40
TRPA1 O75762 1/20 0.39
PDE7B Q9NP56 1/20 0.38
RORC P51449 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 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
SCHEMBL22613977 1.00 POLB (0.46) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL22614051 0.90 KMT2A (0.43) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL29408862 0.90 KMT2A (0.43) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL29499461 0.81 KDM1A (0.43) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL22614357 0.79 HSD11B1 (0.42) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL31041221 0.78 KMT2A (0.49) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL14562254 0.78 KMT2A (0.49) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL22395384 0.76 PDE7B (0.42) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL30446224 0.76 PDE7B (0.42) POLBBACE1KMT2AKDM1AMAOA
SCHEMBL29408993 0.76 HSD11B1 (0.42) POLBBACE1KMT2AKDM1AMAOA

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 4 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
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 CN disclosed
EP-3962906-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 EP disclosed