SCHEMBL8111364

SCHEMBL8111364

CC1(C)Nc2ccc(F)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.37
▸ PGR P06401 5/20 0.36
▸ AKR1B1 P15121 3/20 0.36
▸ HTR5A P47898 4/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AR P10275 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
SCHEMBL11752591 0.74 ALDH1A1 (0.47) RAD52AKR1B1HTR5ACA12CA1
SCHEMBL8881506 0.74 MOGAT2 (0.46) PGRAKR1B1CA12CA1CA2
SCHEMBL23061562 0.73 TGM2 (0.39) RAD52PGRAKR1B1CA12CA1
SCHEMBL11348054 0.73 TGM2 (0.39) RAD52TGM2MAPT
SCHEMBL21260538 0.71 HTR5A (0.38) NOX1PGRAKR1B1HTR5AALDH1A1
SCHEMBL3820928 0.70 HTR5A (0.36) PGRAKR1B1HTR5ACYP1A2MAPT
SCHEMBL3642313 0.69 RAD52 (0.61) RAD52NOX1HTR5AALDH1A1CYP1A2
SCHEMBL24569602 0.68 CYP1A2 (0.44) NOX1PGRAKR1B1HTR5ACA12
SCHEMBL3012790 0.67 HTR5A (0.42) NOX1PGRHTR5ACA1CA2
Water SCHEMBL16654483 0.66 CAPN9 (0.49) AKR1B1ALDH1A1MAPTKMT2A

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
EP-1047693-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-11-02 — — EP disclosed
WO-1999031091-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-06-24 — — WO disclosed
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