SCHEMBL19936997

SCHEMBL19936997

COc1ccc(Cl)cc1BO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HTR3E A5X5Y0 2/20 0.42
▸ HTR3B O95264 2/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HTR3D Q70Z44 2/20 0.42
▸ HTR3C Q8WXA8 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TTR P02766 2/20 0.41
▸ KCNMA1 Q12791 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL8228846 0.76 NFE2L2 (0.42) MEN1KMT2ALMNAERN1CYP1A2
SCHEMBL15031950 0.74 HTR3E (0.45) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL15031545 0.74 TTR (0.46) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL29636402 0.73 TRPV4 (0.55) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL2127233 0.73 TRPV4 (0.55) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL21386393 0.73 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDWDR5
SCHEMBL19114149 0.73 POLB (0.43) ALDH1A1TTRPOLBERN1CYP1A2
SCHEMBL13464298 0.72 CYP3A4 (0.46) LMNAALDH1A1POLB
SCHEMBL541591 0.72 MAPT (0.59) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL31142480 0.72 MAPT (0.59) MEN1KMT2ALMNAALDH1A1HPGD

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
WO-2023125498-A1 ORGANIC COMPOUND, MIXTURE AND COMPOSITION COMPRISING SAME, ORGANIC ELECTRONIC DEVICE, AND APPLICATIONS OF COMPOUND 浙江光昊光电科技有限公司 2023-07-06 — — WO disclosed
WO-2018043761-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO.,LTD. (JP) 2018-03-08 — — WO disclosed
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