SCHEMBL31489162

SCHEMBL31489162

O=C(NC12CC(c3ccc(NC(=O)Oc4ccccc4)cc3)(C1)C2)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ TP53 P04637 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM1A O60341 2/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ RAD51 Q06609 1/20 0.45
▸ RCOR1 Q9UKL0 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ THRB P10828 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ GFER P55789 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL31489148 0.81 CA12 (0.44) POLBALDH1A1KDM1AMAOAMAOB
SCHEMBL30407874 0.78 FAAH (0.46) MAPTALDH1A1RAD51KMT2AKDM4E
SCHEMBL31489034 0.77 RAB9A (0.47) RAB9ATDP1NPC1ATM
SCHEMBL31489018 0.75 NAMPT (0.55) —
SCHEMBL31488799 0.74 ALDH1A1 (0.56) MAPTTP53POLBALDH1A1RAD51
SCHEMBL30059309 0.74 LMNA (0.49) POLBALDH1A1KMT2AGAARAB9A
SCHEMBL13878591 0.74 EPHX2 (0.47) ALDH1A1KMT2AUSP2MEN1HPGD
SCHEMBL38659346 0.73 NPC1 (0.43) MAPTTP53ALDH1A1MAOAGAA
SCHEMBL28561557 0.73 MAPT (0.57) MAPTTP53POLBALDH1A1KDM1A
SCHEMBL20564912 0.73 ALDH1A1 (0.49) MAPTTP53POLBALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
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