SCHEMBL30738993

SCHEMBL30738993

O=C(O)c1ccc(=O)n(C2COCN2)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
PABPC1 P11940 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
POLB P06746 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14406963 0.77 TP53 (0.35) TDP1HSD17B10CA12CA1CA9
SCHEMBL3160335 0.72 HSD17B10 (0.41) HSD17B10CA12CA1CA9DDB1
SCHEMBL924527 0.69 HSD17B10 (0.49) HSD17B10L3MBTL1TP53TSHRKDM4E
SCHEMBL924129 0.68 HSD17B10 (0.51) HSD17B10L3MBTL1POLBKDM4EALDH1A1
SCHEMBL19585639 0.66 CRBN (0.51) TDP1DDB1CRBNTSHRALDH1A1
SCHEMBL924794 0.63 USP2 (0.40) TDP1HSD17B10L3MBTL1POLBKDM4E
SCHEMBL3174187 0.61 IDH1 (0.50) CA12CA1CA9SMN1; SMN2CA2
SCHEMBL25078428 0.60 BRD4 (0.45)
SCHEMBL480137 0.60 CREBBP (0.58) TDP1CA12CA1CA9SMN1; SMN2
SCHEMBL31702896 0.60 TSHR (0.46) CA12CA1CA9SMN1; SMN2CA2

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-117561258-A Novel substituted tricyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-02-13 CN disclosed