SCHEMBL29408932

SCHEMBL29408932

O=C(NC12CC(c3cnn(-c4ccc(Cl)cc4)c3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 3/20 0.38
▸ IDO1 P14902 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL22614525 1.00 ATF4 (0.38) ATF4IDO1CHRM1CYP1A2CYP3A4
SCHEMBL22613841 1.00 ATF4 (0.38) ATF4IDO1CHRM1CYP1A2CYP3A4
SCHEMBL29409077 1.00 ATF4 (0.38) ATF4IDO1CHRM1CYP1A2CYP3A4
SCHEMBL22614213 0.91 ATF4 (0.36) ATF4IDO1CHRM1
SCHEMBL29409140 0.91 ATF4 (0.36) ATF4IDO1CHRM1
SCHEMBL22614116 0.91 ATF4 (0.36) ATF4IDO1CHRM1
SCHEMBL29409133 0.91 ATF4 (0.36) ATF4IDO1CHRM1
SCHEMBL22614266 0.89 ATF4 (0.38) ATF4IDO1CHRM1
SCHEMBL22613911 0.89 ATF4 (0.38) ATF4IDO1CHRM1
SCHEMBL29408928 0.89 ATF4 (0.38) ATF4IDO1CHRM1

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
Send feedback