SCHEMBL30353124

SCHEMBL30353124

Cc1cc(Oc2cc(C#N)ccc2-c2ncc(CCN)cn2)cc(N2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
EGLN2 Q96KS0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DCK P27707 1/20 0.34
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
MEN1 O00255 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
SCHEMBL25554226 1.00 ALDH1A1 (0.41) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL23949247 0.93 LMNA (0.42) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL30256596 0.93 LMNA (0.42) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL30257282 0.91 CYP11B2 (0.33) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL25554687 0.91 CYP11B2 (0.33) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL30353087 0.90 TSHR (0.42) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL25554212 0.90 TSHR (0.42) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL25058495 0.89 CYP19A1 (0.37) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL25554590 0.89 SCN7A (0.35) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL25555242 0.89 CYP11B2 (0.33) TSHRNPSR1DCKCYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed