SCHEMBL25404283

SCHEMBL25404283

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2I)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
MAPT P10636 7/20 0.68
LMNA P02545 6/20 0.68
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MET P08581 1/20 0.46
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44

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
SCHEMBL31639389 0.89 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL2531674 0.89 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL29803658 0.87 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2KCNH2
SCHEMBL25404908 0.87 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2KCNH2
SCHEMBL1810972 0.87 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2KCNH2
SCHEMBL994347 0.86 ALDH1A1 (0.68) ALDH1A1MAPTLMNAMAPK1
SCHEMBL24993657 0.86 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL448246 0.86 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL29536266 0.86 ALDH1A1 (0.68) ALDH1A1MAPTLMNAMAPK1
SCHEMBL4002221 0.86 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2CYP1A2

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-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 EP disclosed
CN-118742539-A Heterocyclic derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-10-01 CN disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 WO disclosed
WO-2023169391-A1 HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-14 WO disclosed