SCHEMBL29136362

SCHEMBL29136362

COCCNc1cc(Br)nc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.44
NCF1 P14598 2/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 2/20 0.37
EGLN2 Q96KS0 1/20 0.36
ITK Q08881 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LDHA P00338 1/20 0.35
NPC1 O15118 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 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
SCHEMBL849709 0.77 LMNA (0.38) KCNH3NCF1LMNAALDH1A1MAPT
SCHEMBL28564265 0.74 THRB (0.52) KCNH3NCF1LMNAALDH1A1MAPT
SCHEMBL20835959 0.74 GAA (0.42) KCNH3LMNAALDH1A1MAPTRAB9A
SCHEMBL31313551 0.73 HTR7 (0.38) KCNH3LMNAALDH1A1MAPTRAB9A
SCHEMBL25298229 0.73 KCNH3 (0.48) KCNH3LMNAALDH1A1MAPTRAB9A
SCHEMBL28572444 0.72 GAA (0.47) KCNH3LMNAALDH1A1MAPTRAB9A
SCHEMBL19297416 0.72 NPC1 (0.56) KCNH3LMNAALDH1A1MAPTRAB9A
SCHEMBL30288272 0.72 ALDH1A1 (0.44) KCNH3LMNAALDH1A1MAPTRAB9A
SCHEMBL21928897 0.70 DRD4 (0.46) KCNH3ALDH1A1MAPTHTTKDM4E
SCHEMBL3753220 0.69 EGLN2 (0.44) KCNH3LMNAALDH1A1MAPTRAB9A

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-117343056-A Pyridopyrrole derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-01-05 CN disclosed