SCHEMBL22190335

SCHEMBL22190335

O=c1onc(CCCc2ccc(I)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL22190370 0.84 ATM (0.47) ALDH1A1POLBATMTDP1L3MBTL1
SCHEMBL22190338 0.84 ALDH1A1 (0.47) ALDH1A1POLB
SCHEMBL21148547 0.84 SIRT2 (0.37) ALDH1A1POLBL3MBTL1
SCHEMBL21149335 0.84 SIRT2 (0.38) ALDH1A1POLBATMTDP1L3MBTL1
SCHEMBL21121188 0.83 RAB9A (0.46) ALDH1A1ATMTDP1L3MBTL1NPC1
SCHEMBL21148530 0.80 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2
SCHEMBL22190353 0.80 HTR2B (0.43) —
SCHEMBL22190357 0.80 KCNH2 (0.43) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL22190361 0.80 ATM (0.42) ALDH1A1ATMTDP1L3MBTL1NPC1
SCHEMBL22190354 0.79 MAPT (0.43) ALDH1A1ATMTDP1L3MBTL1NPC1

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
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 — — WO disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 — — WO disclosed
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