SCHEMBL21088922

SCHEMBL21088922

N/N=N/C(=O)C1CC1/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
CTSK P43235 1/20 0.39
SLC9A1 P19634 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TNKS O95271 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL18182909 1.00 KDM1A (0.50) KDM1ACTSKSLC9A1MAPTLMNA
SCHEMBL21088849 0.82 KDM1A (0.49) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL21088859 0.80 KDM1A (0.58) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL21088669 0.80 KDM1A (0.58) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL18172735 0.79 KDM1A (0.56) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL18173266 0.79 KDM1A (0.56) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL18172738 0.79 KDM1A (0.56) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL18173141 0.78 KDM1A (0.45) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL18173167 0.78 KDM1A (0.45) KDM1ACTSKMAPTLMNASMN1; SMN2
SCHEMBL18173146 0.78 KDM1A (0.45) KDM1ACTSKMAPTLMNASMN1; SMN2

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed