SCHEMBL12499272

SCHEMBL12499272

Cc1c(C(=O)O)c(Cc2cccc(Cl)c2)nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
ADCY10 Q96PN6 1/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
PDE5A O76074 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
P2RY14 Q15391 1/20 0.40
SLC26A4 O43511 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL12498726 0.86 HSP90AA1 (0.47) ADCY10KMT2AMEN1PKMRAB9A
SCHEMBL12499400 0.84 VDR (0.49) POLBKMT2AMEN1RAB9AMAPT
SCHEMBL12499672 0.83 RNASEH1 (0.43) POLBKMT2AMEN1MAPTLMNA
SCHEMBL12499705 0.83 HCAR2 (0.42) HCAR2KMT2AMEN1PKMRAB9A
SCHEMBL12498775 0.83 HCAR2 (0.42) HCAR2KMT2AMEN1PKMRAB9A
SCHEMBL12499305 0.81 AADAT (0.43) POLBSMN1; SMN2P2RY14
SCHEMBL12499265 0.76 SMN1; SMN2 (0.40) POLBSMN1; SMN2LMNAP2RX3
SCHEMBL18148761 0.75 MEN1 (0.49) KMT2AMEN1PKMLMNA
SCHEMBL12499891 0.74 KMT2A (0.51) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL12498729 0.73 SRD5A2 (0.46) POLBLMNAP2RY14

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-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 WO disclosed