SCHEMBL31026201

SCHEMBL31026201

O=C(NCc1ccccc1)c1ncc(Br)cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
HPGDS O60760 4/20 0.55
MMP13 P45452 1/20 0.54
HPGD P15428 4/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.52
GLA P06280 1/20 0.50
EGFR P00533 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL5038770 0.83 MMP13 (0.60) HPGDSMMP13KMT2AALDH1A1HDAC2
SCHEMBL12266355 0.81 MMP13 (0.59) SMN1; SMN2HPGDSMMP13HPGDKMT2A
SCHEMBL12749843 0.77 EGFR (0.52) HPGDSMMP13KMT2AL3MBTL1EGFR
SCHEMBL16126516 0.75 POLB (0.55) SMN1; SMN2MMP13HPGDKMT2AALDH1A1
SCHEMBL11650826 0.75 HPGD (0.55) SMN1; SMN2HPGDSMMP13HPGDALDH1A1
SCHEMBL22011494 0.75 NPC1 (0.53) SMN1; SMN2
SCHEMBL21962000 0.75 NPC1 (0.56) SMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL14659580 0.75 ATR (0.53) SMN1; SMN2KMT2AALDH1A1HDAC2HDAC8
SCHEMBL8042301 0.75 HDAC6 (0.77) SMN1; SMN2HPGDKMT2AALDH1A1HDAC2
SCHEMBL17697619 0.74 SMN1; SMN2 (0.43) SMN1; SMN2HPGDSKMT2AALDH1A1L3MBTL1

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
CN-118439994-A Preparation method of 2-pyridine carboxamide compound 江阴迈康升华医药科技有限公司 2024-08-06 CN disclosed