SCHEMBL20547712

SCHEMBL20547712

CNc1cc(-c2ccccc2)c2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MPI P34949 1/20 0.55
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ GPR84 Q9NQS5 2/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ACACA Q13085 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18271562 0.85 ALDH1A1 (0.58) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL27919175 0.82 ALDH1A1 (0.43) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL24153139 0.81 ALDH1A1 (0.55) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL24550932 0.79 ALDH1A1 (0.51) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL20654841 0.78 CYP11B1 (0.46) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL14036884 0.76 TSHR (0.48) KDM4EHPGDMAPTTSHRTDP1
SCHEMBL25550065 0.76 ALDH1A1 (0.49) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL24949596 0.75 ALDH1A1 (0.47) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL28054478 0.75 MEN1 (0.51) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL8851574 0.75 CYP1A2 (0.57) KDM4EKMT2AHPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615053-A1 PHARMACEUTICAL COMPOSITION COMPRISING TRYPTOPHAN AND PHYLLOKININ DERIVATIVE FOR USE IN TREATING PSYCHIATRIC AND PSYCHOLOGICAL CONDITIONS Temple Otorongo LLC (US) 2020-03-04 — — EP claimed
WO-2018200381-A1 PHARMACEUTICAL COMPOSITION COMPRISING TRYPTOPHAN AND PHYLLOKININ DERIVATIVE FOR USE IN TREATING PSYCHIATRIC AND PSYCHOLOGICAL CONDITIONS TEMPLE OTORONGO LLC (US) 2018-11-01 — — WO claimed
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 — — CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 — — CN disclosed
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