SCHEMBL21700187

SCHEMBL21700187

CC(=O)C1Cc2ccccc2CN1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACE P12821 3/20 0.43
PREP P48147 1/20 0.42
CHEK1 O14757 1/20 0.42
JAK2 O60674 1/20 0.42
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
HSD17B3 P37058 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL28611516 0.82 CHEK1 (0.45) NOTUMPOLBACECHEK1JAK2
SCHEMBL29655525 0.82 CHEK1 (0.45) NOTUMPOLBACECHEK1JAK2
SCHEMBL8278531 0.81 NOTUM (0.48) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL10116499 0.81 NOTUM (0.48) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL16316395 0.79 TDP1 (0.56) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL2616888 0.79 NOTUM (0.47) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL14569615 0.77 ACE (0.47) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL10445427 0.77 GLA (0.45) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL32676643 0.72 HTR1A (0.43) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL32676817 0.72 HTR1A (0.43) NOTUMTDP1POLBAPOBEC3AAPOBEC3G

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-2480247-B1 NOVEL NPR-B AGONISTS SHIRE ORPHAN THERAPIES GMBH (DE) 2020-02-12 EP disclosed