SCHEMBL31006005

SCHEMBL31006005

CCOC(=O)C(N=[N+]=[N-])c1cn(Cc2ccccc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP19A1 P11511 8/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SCD O00767 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38

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
SCHEMBL25836758 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ACYP19A1
SCHEMBL23376712 0.82 ALDH1A1 (0.62) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL23376772 0.81 ALDH1A1 (0.63) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL23357710 0.80 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ACYP19A1
SCHEMBL25397946 0.76 ALDH1A1 (0.60) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL893141 0.72 ALDH1A1 (1.00) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL17971112 0.72 ALDH1A1 (0.63) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL10475693 0.72 MEN1 (0.67) ALDH1A1LMNAMEN1KMT2ACYP19A1
SCHEMBL25836764 0.71 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2ACYP19A1
SCHEMBL28503072 0.70 ALDH1A1 (0.64) ALDH1A1LMNAHPGDSMN1; SMN2CYP19A1

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-118638140-A Oxo-substituted compounds 住友制药株式会社 2024-09-13 — — CN disclosed
CN-112135830-B Oxo-substituted compounds 住友制药株式会社 2024-06-14 — — CN disclosed
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