SCHEMBL30949499

SCHEMBL30949499

COc1cc(I)c(C(=O)NC(C)(C)C)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39

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
SCHEMBL2360957 0.80 LCK (0.59) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL31460065 0.79 SOS1 (0.48) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL30949581 0.77 LCK (0.59) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL25300403 0.75 KDM4E (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL25259828 0.74 KDM4E (0.50) ALDH1A1MAPTKMT2ALCKFYN
SCHEMBL16142945 0.74 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1933083 0.74 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL25303250 0.72 LCK (0.43) ALDH1A1MAPTRAB9ACYP1A2SMN1; SMN2
SCHEMBL25299997 0.72 LCK (0.62) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL30949534 0.72 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ARAB9A

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-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 — — EP disclosed
WO-2024153225-A1 NOVEL ALPK1 INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2024-07-25 — — WO disclosed
Send feedback