SCHEMBL23666011

SCHEMBL23666011

Cn1nc(Br)cc1NC(=O)CC=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPK14 Q16539 5/20 0.36
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19253452 0.76 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2MAPK14MAPT
SCHEMBL31277112 0.71 KCNJ5 (0.50) ALDH1A1
SCHEMBL19271750 0.69 MAPK14 (0.47) LMNASMN1; SMN2MAPK14MAPT
SCHEMBL25833641 0.68 — —
SCHEMBL11200266 0.67 SMN1; SMN2 (0.62) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL24156506 0.67 MAPK1 (0.37) ALDH1A1LMNASMN1; SMN2MAPK14MAPT
SCHEMBL6361845 0.64 SMN1; SMN2 (0.62) ALDH1A1LMNASMN1; SMN2MAPK14MAPT
SCHEMBL26843192 0.64 MEN1 (0.44) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL1875633 0.62 MMP2 (0.38) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL28404918 0.62 KMT2A (0.68) ALDH1A1LMNASMN1; SMN2MAPTPOLB

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-2021146192-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINES AND USES THEREOF Verge Analytics, Inc. (US) 2021-07-22 — — WO disclosed
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