SCHEMBL21653106

SCHEMBL21653106

CCn1cc(NC(=O)c2cc(I)cn2C)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K2 P36507 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ MAPT P10636 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
SCHEMBL21653231 0.85 MEN1 (0.41) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21653070 0.85 MEN1 (0.44) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21653110 0.81 ALDH1A1 (0.37) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21653096 0.80 GRM1 (0.46) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21653069 0.77 ALDH1A1 (0.43) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21653390 0.77 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21653068 0.77 TAS2R8 (0.47) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL21652915 0.76 CREBBP (0.55) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL21652920 0.76 MAPT (0.42) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL21653203 0.73 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2MEN1KMT2ATP53

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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
Send feedback