SCHEMBL29567666

SCHEMBL29567666

O=C(c1ccnc(Br)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.45
▸ CES1 P23141 1/20 0.44
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MLYCD O95822 2/20 0.39
▸ AR P10275 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ TET3 O43151 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ BBOX1 O75936 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ ASPH Q12797 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ TET2 Q6N021 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.36

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
SCHEMBL22735776 1.00 ACHE (0.45) ACHECES1KDM1AHDAC1HDAC6
SCHEMBL28786825 0.78 LMNA (0.47) KDM1AHDAC1HDAC6ARMAPT
SCHEMBL29272276 0.76 FTO (0.67) ACHECES1MAPTKDM4EALDH1A1
SCHEMBL40395 0.76 KDM4C (0.61) KDM1AHDAC1HDAC6MAPTKDM4E
SCHEMBL30527973 0.76 KDM4C (0.61) KDM1AHDAC1HDAC6MAPTKDM4E
SCHEMBL24198783 0.76 AR (0.45) KDM1AHDAC1HDAC6ARALDH1A1
SCHEMBL27599068 0.75 ACHE (0.46) ACHECES1HDAC1HDAC6MLYCD
SCHEMBL2430356 0.75 KDM1A (0.44) KDM1AHDAC1HDAC6ARMAPT
SCHEMBL31026889 0.75 PARP1 (0.48) KDM1AHDAC1HDAC6MAPTKDM4E
SCHEMBL1137138 0.75 KDM1A (0.44) KDM1AHDAC1HDAC6ARMAPT

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
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
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