SCHEMBL21653091

SCHEMBL21653091

CCn1cc(NC(=O)c2cnc(-c3ccc4c(c3)CCO4)s2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1L O00429 2/20 0.46
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ WNT3A P56704 2/20 0.40
▸ PLA2G10 O15496 1/20 0.39
▸ POLQ O75417 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ HDAC3 O15379 1/20 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
SCHEMBL14479883 0.81 PTPN1 (0.60) DNM1LRAB9ANPC1SMN1; SMN2PTPN11
SCHEMBL21653229 0.74 RAB9A (0.42) RAB9ANPC1SMN1; SMN2PTPN11ALDH1A1
SCHEMBL6246566 0.74 PLA2G10 (0.59) RAB9ANPC1CLK1SMN1; SMN2PLA2G10
SCHEMBL18573457 0.70 PTPN1 (0.63) RAB9ANPC1SMN1; SMN2PTPN11PTPN1
SCHEMBL21653250 0.66 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21653105 0.66 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21653109 0.66 NPC1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18573582 0.66 PTPN1 (0.63) RAB9ANPC1SMN1; SMN2PTPN11PTPN1
SCHEMBL12922744 0.66 GAA (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21653230 0.66 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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
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