SCHEMBL27678850

SCHEMBL27678850

Ic1ccc(Cc2nnco2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.32
▸ IDO1 P14902 2/20 0.32
▸ APP P05067 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL23997494 0.81 HRH3 (0.38) MTNR1AMTNR1B
SCHEMBL23997326 0.81 RAB9A (0.42) IDO1MTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL9494 0.80 RAB9A (0.47) SMN1; SMN2NOTUMNPC1HPGDTSHR
SCHEMBL25281776 0.72 MAPK1 (0.42) CYP3A4SMN1; SMN2LMNATP53TSHR
SCHEMBL5491719 0.68 CYP3A4 (0.50) CYP3A4IDO1APPTSHR
SCHEMBL25418048 0.68 NOTUM (0.35) NOTUM
SCHEMBL3685411 0.65 NOTUM (0.64) LMNATP53NOTUMNPC1HPGD
SCHEMBL23997423 0.64 MAPT (0.35) APPNOTUM
SCHEMBL2752802 0.63 NPC1 (0.46) SMN1; SMN2LMNANPC1RAB9A
SCHEMBL19851469 0.63 MEN1 (0.33) CYP3A4IDO1SMN1; SMN2LMNATP53

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
CN-1938273-B Tetrahydrocarbazoles and derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 — — CN disclosed
CN-1938273-A Tetrahydrocarbazoles and derivatives HOFFMANN LA ROCHE (CH) 2007-03-28 — — CN disclosed
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