SCHEMBL10714727

SCHEMBL10714727

O=C1C=NC(Cc2ccccc2)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.42
▸ AOC3 Q16853 1/20 0.38
▸ DAO P14920 2/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ AR P10275 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ LTB4R Q15722 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL28324839 0.76 CALM1 (0.42) CALM1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL9569413 0.76 CALM1 (0.38) CALM1AOC3DAOSORT1MAOB
SCHEMBL10733624 0.70 CALM1 (0.50) CALM1AOC3DAOSORT1MAOB
SCHEMBL2479409 0.69 CALM1 (0.44) CALM1DAOSORT1MAOBMAOA
SCHEMBL6504361 0.68 CALM1 (0.42) CALM1AOC3DAOSORT1MAOB
SCHEMBL8068942 0.64 CALM1 (0.42) CALM1AOC3DAOALDH1A1KMT2A
SCHEMBL6495081 0.64 SORT1 (0.44) CALM1DAOSORT1MAOBMAOA
SCHEMBL643335 0.64 MAPT (0.37) ALDH1A1KMT2AHPGDMEN1KDM4E
Diphenylmethane SCHEMBL1303 0.64 CALM1 (1.00) CALM1MAOBALDH1A1HPGDLTA4H
Diphenylmethane SCHEMBL4361124 0.64 CALM1 (1.00) CALM1MAOBALDH1A1HPGDLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 — — US claimed
CN-115125246-B Promoter mutant P alpha-rapA and application thereof 天津科技大学 2024-02-06 — — CN disclosed
CN-115125245-B Promoter mutant P alpha-rpsT and application thereof 天津科技大学 2023-10-13 — — CN disclosed
CN-107188869-B Fluorine-containing epoxy resin monomer, prepolymer and preparation and application of initiator thereof 华中师范大学 2020-07-24 — — CN disclosed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 — — US disclosed
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