SCHEMBL28034288

SCHEMBL28034288

COCCCCc1c(C(=O)[CH]C(C)C)nnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
POLB P06746 1/20 0.41
TP53 P04637 3/20 0.41
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
SLC5A1 P13866 2/20 0.39
SLC5A2 P31639 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROCK1 Q13464 1/20 0.36
PPARG P37231 2/20 0.35
HPGD P15428 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL28034285 0.85 REN (0.39) RENPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2219018 0.85 HTT (0.52) RENPOLBTP53ALOX12HTT
SCHEMBL28822499 0.82 REN (0.47) RENPOLBTP53ALOX12HTT
SCHEMBL2221448 0.76 CA1 (0.44) RENPOLBTP53ALOX12HTT
SCHEMBL2217094 0.75 PTGS2 (0.46) RENPOLBHTTALDH1A1L3MBTL1
SCHEMBL2221627 0.75 PTGS2 (0.46) RENPOLBTP53HTTSLC5A1
SCHEMBL2219586 0.75 SMN1; SMN2 (0.47) RENPOLBTP53HTTSMN1; SMN2
SCHEMBL2223484 0.75 HSD11B1 (0.47) RENTP53HTTRAB9ASMN1; SMN2
SCHEMBL2218506 0.75 GAA (0.51) RENHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2218858 0.75 ALDH1A1 (0.43) RENTP53HTTSMN1; SMN2ALDH1A1

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
CN-103373985-B Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2015-10-28 CN disclosed