SCHEMBL9314193

SCHEMBL9314193

O=C(CCc1cnc(Cc2ccccc2)[nH]1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ HPGDS O60760 1/20 0.46
▸ BRS3 P32247 4/20 0.45
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ AOC3 Q16853 1/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM4D Q6B0I6 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
SCHEMBL9314265 0.87 KEAP1 (0.50) HPGDSBRS3AOC3CAPN1CYP1A2
SCHEMBL9314201 0.81 HDAC3 (0.53) HPGDSBRS3AOC3CAPN1CYP1A2
SCHEMBL7345076 0.79 BRS3 (0.49) HPGDSBRS3AOC3CAPN1KDM6B
SCHEMBL7688678 0.77 HPGDS (0.50) HPGDSBRS3AOC3CAPN1
SCHEMBL8957090 0.75 HRH1 (0.62) TDP1HPGDSBRS3AOC3CAPN1
SCHEMBL8957140 0.74 SLC7A5 (0.54) HPGDSBRS3AOC3
SCHEMBL11552467 0.73 HPGDS (0.50) HPGDSBRS3AOC3CAPN1
SCHEMBL7846648 0.73 MMP2 (0.51) HPGDSBRS3AOC3CAPN1SMN1; SMN2
SCHEMBL30572 0.72 TDP1 (0.77) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL15524969 0.72 TDP1 (0.77) NPC1RAB9ATDP1CASP3SENP8

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
Send feedback