SCHEMBL9314265

SCHEMBL9314265

O=C(O)CCc1cnc(Cc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.50
▸ BRS3 P32247 4/20 0.48
▸ FFAR1 O14842 1/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ AOC3 Q16853 1/20 0.45
▸ GPR17 Q13304 1/20 0.45
▸ CAPN1 P07384 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9314201 0.91 HDAC3 (0.53) KEAP1BRS3TBXAS1CYP1A2HPGDS
SCHEMBL9314193 0.87 HSD11B1 (0.48) BRS3CYP1A2HPGDSAOC3CAPN1
SCHEMBL7345076 0.86 BRS3 (0.49) BRS3HPGDSAOC3CAPN1DAO
Hydrochloric Acid SCHEMBL8368581 0.82 BRS3 (0.52) BRS3FFAR1TBXAS1FFAR4MMP2
SCHEMBL7688678 0.80 HPGDS (0.50) BRS3HPGDSAOC3CAPN1DAO
SCHEMBL11552467 0.80 HPGDS (0.50) BRS3HPGDSAOC3CAPN1DAO
SCHEMBL8957090 0.79 HRH1 (0.62) BRS3HPGDSAOC3CAPN1KDM4E
SCHEMBL8957140 0.78 SLC7A5 (0.54) BRS3HSD17B10HPGDSAOC3
SCHEMBL5201259 0.77 PDE9A (0.40) BRS3CYP1A2CYP2C9HSD17B10CHRM1
SCHEMBL7846648 0.77 MMP2 (0.51) BRS3HSD17B10HPGDSAOC3CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589975-A1 NEW SELECTIVE AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1994-04-06 — — EP disclosed
WO-1992022537-A1 NEW SELECTIVE AROMATASE INHIBITING 4(5)-IMIDAZOLES Orion-Yhtymä Oy (FI) 1992-12-23 — — WO disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 — — EP disclosed
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