SCHEMBL20490589

SCHEMBL20490589

O=C(NO)C(c1ccccc1)c1ccc(NCCCn2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 4/20 0.60
▸ POLB P06746 1/20 0.54
▸ TBXAS1 P24557 2/20 0.52
▸ CYP19A1 P11511 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SOD1 P00441 2/20 0.50
▸ CACNA1B Q00975 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL20490494 0.91 QPCT (0.55) QPCTPOLBTBXAS1CYP19A1SMN1; SMN2
SCHEMBL10852494 0.84 QPCT (0.73) QPCTPOLBTBXAS1CYP19A1SMN1; SMN2
SCHEMBL11495035 0.81 SOD1 (0.67) QPCTCYP19A1SMN1; SMN2SOD1NPC1
SCHEMBL20490242 0.81 HDAC4 (0.55) POLBRAB9AHDAC3HDAC4HDAC1
SCHEMBL20490279 0.78 HDAC4 (0.58) POLBSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL20490468 0.76 TACR2 (0.58) POLBSMN1; SMN2CACNA1BNPC1RAB9A
SCHEMBL20490428 0.76 HDAC4 (0.53) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL27798451 0.76 HDAC8 (0.55) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20490365 0.76 MALT1 (0.51) POLBNPC1RAB9AHDAC3HDAC4
SCHEMBL20490192 0.75 HDAC3 (0.54) POLBHDAC3HDAC4HDAC1HDAC7

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
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 — — EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 — — EP disclosed
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