SCHEMBL12966626

SCHEMBL12966626

CC(Oc1ccc(C(=O)c2ccc(N=NN(C)C)cc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ ELANE P08246 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 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
SCHEMBL47287 1.00 MAPT (0.48) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL12966537 0.85 CYP1A2 (0.46) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL12966650 0.85 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL12966551 0.84 LMNA (0.48) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL41667 0.83 MAPT (0.43) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL41666 0.83 MAPT (0.43) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL12966662 0.83 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12966543 0.83 NPC1 (0.42) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL12966544 0.82 KMT2A (0.46) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL38787 0.80 MAPT (0.55) MAPTNPC1RAB9AGAASMN1; SMN2

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
WO-2012130850-A1 TISSUE TARGETING BY MEANS OF ONCOCIDAL BRIDGED DIPHENYL DERIVATIVES FOR THE SELECTIVE TREATMENT OF SEXUAL ORGAN TUMORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — WO disclosed
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