SCHEMBL30632929

SCHEMBL30632929

Clc1ccccc1C=Cc1ncco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ PKM P14618 1/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ SENP7 Q9BQF6 3/20 0.47
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL30632939 0.80 NPC1 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30632963 0.79 NFE2L2 (0.55) KDM4EL3MBTL1NPC1RAB9APKM
SCHEMBL30632896 0.78 HTR2A (0.40) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL15870902 0.77 — —
SCHEMBL30632980 0.76 SOS1 (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30632909 0.76 NFKB1 (0.45) RAB9ANFE2L2NFKB1
SCHEMBL30632983 0.75 NAPRT (0.36) MAPTKDM4ENPC1RAB9APKM
SCHEMBL2278846 0.74 GRM4 (0.44) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL2278845 0.74 GRM4 (0.44) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL1058814 0.74 ALDH1A1 (0.62) MAPTALDH1A1CYP1A2MEN1KMT2A

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-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 — — CN disclosed
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