SCHEMBL28970350

SCHEMBL28970350

CC(Sc1ncccn1)c1noc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.36
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ SORD Q00796 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ GRM4 Q14833 4/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CA3 P07451 1/20 0.33

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
SCHEMBL24795820 1.00 HIF1A (0.36) HIF1AFAAHMGLLSORDALDH1A1
SCHEMBL85415 0.75 CA12 (0.41) HIF1AFAAHMGLLSORDGRM4
SCHEMBL25460224 0.74 FAAH (0.36) HIF1AFAAHMGLLSMN1; SMN2CA12
SCHEMBL24795817 0.72 ALDH1A1 (0.47) HIF1AALDH1A1NPC1RAB9ASMN1; SMN2
Pyrazine SCHEMBL28254063 0.72 HIF1A (0.41) HIF1AFAAHMGLLSORDALDH1A1
SCHEMBL24796169 0.72 SORD (0.43) HIF1AFAAHMGLLSORDNPC1
SCHEMBL8663680 0.72 ESR1 (0.42) HIF1AFAAHMGLLSORDNPC1
SCHEMBL17150578 0.72 CA12 (0.39) HIF1AFAAHMGLLSORDKMT2A
SCHEMBL20992668 0.72 CA12 (0.39) HIF1AFAAHMGLLSORDNPC1
SCHEMBL13680770 0.72 CA12 (0.42) HIF1AFAAHMGLLSORDSMN1; SMN2

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
CN-115836058-A Benzisoxazole derivatives 住友制药株式会社 2023-03-21 — — CN disclosed
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