SCHEMBL30489197

SCHEMBL30489197

CCOC(=O)c1cc2nc(CCBr)sc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MMP13 P45452 7/20 0.39
MMP2 P08253 5/20 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
SCHEMBL13308063 0.83 RAB9A (0.48) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL2932315 0.81 RAB9A (0.49) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL23146142 0.78 HPGD (0.50) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL23146098 0.77 RAB9A (0.45) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL30112780 0.75 DAO (0.56) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL30489160 0.72 FGFR1 (0.48) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL30489144 0.72 KDM4E (0.46) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL1244790 0.70 RAB9A (0.50) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL1242490 0.70 DAO (0.60) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL6625289 0.70 ALDH1A1 (0.52) RAB9AKDM4EALDH1A1HPGDNPC1

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-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN disclosed