SCHEMBL31169329

SCHEMBL31169329

O=[N+]([O-])c1cccc2c1cnn2CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDR P35968 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ RET P07949 1/20 0.40
▸ GAA P10253 2/20 0.40

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
SCHEMBL25252719 1.00 PIN1 (0.44) PIN1SIGMAR1RAB9ANPC1MAPT
SCHEMBL2049090 0.86 RECQL (0.53) PIN1MAPTALDH1A1TDP1
SCHEMBL30491733 0.86 RECQL (0.53) PIN1MAPTALDH1A1TDP1
SCHEMBL25290375 0.86 RECQL (0.53) PIN1MAPTALDH1A1TDP1
SCHEMBL27228011 0.83 TDP1 (0.46) ALDH1A1TDP1GAA
SCHEMBL30861009 0.83 TDP1 (0.46) ALDH1A1TDP1GAA
SCHEMBL6118688 0.82 TDP1 (0.44) ALDH1A1TDP1GAA
SCHEMBL27227989 0.82 TDP1 (0.44) MAPTALDH1A1TDP1GAA
SCHEMBL3686407 0.79 TDP1 (0.47) MAPTALDH1A1TDP1GAA
SCHEMBL476964 0.78 CNR1 (0.46) RAB9ANPC1MAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118748993-A Indazole compounds and medicaments 日本新药株式会社 2024-10-08 — — CN disclosed
Send feedback