SCHEMBL29856237

SCHEMBL29856237

CCc1c(C(=O)c2ccc(O)cc2)c2cncnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SLC22A12 Q96S37 7/20 0.37
EYA3 Q99504 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 1/20 0.35
HSD17B3 P37058 1/20 0.35
RORC P51449 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NTRK1 P04629 4/20 0.33
ATM Q13315 1/20 0.33
USP7 Q93009 1/20 0.33

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
SCHEMBL29856222 0.84 SRD5A2 (0.47) MAPTALDH1A1HTT
SCHEMBL29856226 0.82 SLC22A12 (0.40) MAPTSLC22A12EYA3LMNAALDH1A1
SCHEMBL29856238 0.81 SLC22A12 (0.43) SLC22A12EYA3CYP2C9HSD17B3RORC
SCHEMBL29856147 0.80 LMNA (0.36) MAPTSLC22A12EYA3LMNAALDH1A1
SCHEMBL29856217 0.79 TUBB4A (0.41) MAPTSLC22A12EYA3LMNACYP2C9
SCHEMBL29856214 0.76 KDM5A (0.40) MAPTSLC22A12EYA3LMNACYP2C9
SCHEMBL29856224 0.75 LMNA (0.37) MAPTSLC22A12EYA3LMNAALDH1A1
SCHEMBL29856234 0.71 ALOX15 (0.40) SLC22A12EYA3LMNAALDH1A1ALOX15
SCHEMBL29856229 0.70 ALOX15 (0.39) MAPTSLC22A12EYA3LMNAALDH1A1
SCHEMBL29856273 0.68 COMT (0.40) MAPTSLC22A12EYA3LMNAALDH1A1

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed