SCHEMBL9314201

SCHEMBL9314201

O=C(O)CCCc1cnc(Cc2ccccc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ BRS3 P32247 6/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ LTB4R Q15722 1/20 0.44

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
SCHEMBL9314265 0.91 KEAP1 (0.50) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL7345076 0.83 BRS3 (0.49) BRS3HPGDSAOC3CAPN1
SCHEMBL9314193 0.81 HSD11B1 (0.48) SMN1; SMN2BRS3MAPTCYP1A2HPGDS
SCHEMBL7688678 0.78 HPGDS (0.50) BRS3HPGDSAOC3CAPN1
SCHEMBL11552467 0.78 HPGDS (0.50) BRS3HPGDSAOC3CAPN1
SCHEMBL8957090 0.76 HRH1 (0.62) SMN1; SMN2BRS3MAPTHPGDSAOC3
SCHEMBL8957140 0.75 SLC7A5 (0.54) BRS3HPGDSAOC3
SCHEMBL7846648 0.74 MMP2 (0.51) SMN1; SMN2BRS3MAPTHPGDSAOC3
Hydrochloric Acid SCHEMBL8368581 0.74 BRS3 (0.52) BRS3TBXAS1
SCHEMBL13851686 0.72 HDAC1 (0.84) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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-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
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