SCHEMBL11546331

SCHEMBL11546331

COCCOC(=O)Nc1c(Cl)cc(C(C)=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
LMNA P02545 3/20 0.41
RAB9A P51151 2/20 0.41
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE4D Q08499 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL11546072 0.87 HPGD (0.57) HPGDLMNARAB9ANLRP3ALDH1A1
SCHEMBL11549836 0.85 HPGD (0.39) HPGDLMNARAB9ANLRP3ALDH1A1
SCHEMBL11545759 0.84 SMN1; SMN2 (0.41) HPGDLMNARAB9ANLRP3ALDH1A1
SCHEMBL11545231 0.83 NLRP3 (0.52) HPGDLMNARAB9ANLRP3ALDH1A1
SCHEMBL11548757 0.76 BACE1 (0.56) LMNARAB9AALDH1A1TSHRNPSR1
SCHEMBL11546761 0.76 ALDH1A1 (0.40) HPGDLMNARAB9AALDH1A1TSHR
SCHEMBL11046716 0.74 NLRP3 (0.44) HPGDRAB9ANLRP3ALDH1A1TSHR
SCHEMBL11547093 0.74 HPGD (0.48) HPGDLMNARAB9ATSHRCSNK2A2
SCHEMBL11547363 0.73 LMNA (0.52) LMNATSHRKDM4ESMN1; SMN2CYP2C9
Hydrochloric Acid SCHEMBL11547356 0.72 LMNA (0.53) LMNATSHRKDM4ESMN1; SMN2CYP2C9

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
US-4145363-A ANTIASTHMATICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4063025-A PROPHYLAXIS, ANTIASTHMATIC YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-12-13 US disclosed