SCHEMBL7223365

SCHEMBL7223365

Cc1ccc2c(c1C)N(CCCNCc1ccc(Cl)cc1Cl)c1cccnc1[S+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.38
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
GPR39 O43194 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MC4R P32245 1/20 0.31

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
SCHEMBL7223363 0.82 TP53 (0.33) KMT2ATSHRMEN1CYP1A2CYP2D6
SCHEMBL7220663 0.78 OPRM1 (0.35) KMT2AMEN1CYP2D6
SCHEMBL6751602 0.72 CA12 (0.43) KMT2ATSHRMEN1CYP2D6TP53
SCHEMBL6746830 0.71 ACHE (0.39) KMT2AMEN1
SCHEMBL7227853 0.69 SCN8A (0.35) KMT2AMEN1SMN1; SMN2
SCHEMBL6746814 0.66
SCHEMBL7229042 0.66 KDM4E (0.35) HTTNPSR1SMN1; SMN2RXFP1
SCHEMBL6746847 0.62 HTR2A (0.41)
SCHEMBL8342160 0.62 ALDH1A1 (0.42) TSHRNPSR1SMN1; SMN2
SCHEMBL8444354 0.61 LMNA (0.58) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19

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
US-6583138-B1 Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa EISAI CO., LTD. (JP) 2003-06-24 US claimed