SCHEMBL9052958

SCHEMBL9052958

c1ccc(CN2CC3NC3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.58
▸ SIGMAR1 Q99720 2/20 0.56
▸ S1PR5 Q9H228 2/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ GBA1 P04062 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL16090753 0.87 ACHE (0.54) SIGMAR1S1PR5ALDH1A1ACHECYP1A2
SCHEMBL6787034 0.84 FUCA1 (0.55) FUCA1SIGMAR1S1PR5S1PR1GBA1
SCHEMBL402305 0.82 FUCA1 (0.56) FUCA1SIGMAR1S1PR5S1PR1GBA1
SCHEMBL14410730 0.82 FUCA1 (0.56) FUCA1SIGMAR1S1PR5S1PR1GBA1
SCHEMBL3931239 0.82 FUCA1 (0.56) FUCA1SIGMAR1S1PR5S1PR1GBA1
SCHEMBL5481875 0.81 FUCA1 (0.51) FUCA1SIGMAR1S1PR5S1PR1GBA1
SCHEMBL5242542 0.80 FUCA1 (0.64) FUCA1SIGMAR1S1PR5S1PR1ACHE
SCHEMBL16775256 0.80 FUCA1 (0.64) FUCA1SIGMAR1S1PR5S1PR1GBA1
SCHEMBL16759827 0.80 FUCA1 (0.64) FUCA1SIGMAR1S1PR5S1PR1GBA1
SCHEMBL3522693 0.80 FUCA1 (0.55) FUCA1SIGMAR1S1PR5S1PR1GBA1

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
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 — — WO disclosed
EP-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 — — EP disclosed
WO-1992012155-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1992-07-23 — — WO disclosed
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