SCHEMBL28103239

SCHEMBL28103239

NNc1ccncc1C=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ HASPIN Q8TF76 1/20 0.35
▸ ERN1 O75460 3/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32

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
SCHEMBL18935489 0.80 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL3645303 0.77 AOC1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL27485674 0.77 ALDH1A1 (0.41) LMNA
SCHEMBL13387995 0.76 KDM4C (0.39) ERN1KMT2ALMNA
SCHEMBL29956744 0.74 TSHR (0.42) KMT2A
SCHEMBL2512039 0.74 ALDH1A1 (0.54) LMNA
SCHEMBL29955436 0.73 KMT2A (0.46) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL2600757 0.73 KMT2A (0.46) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL1501582 0.72 — —
SCHEMBL142888 0.72 — —

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
CN-110023321-A Polynucleotide constructs 索尔斯蒂斯生物有限公司 2019-07-16 — — CN disclosed
CN-106061981-A Polynucleotide constructs having disulfide groups 索尔斯蒂斯生物有限公司 2016-10-26 — — CN disclosed
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