SCHEMBL14313316

SCHEMBL14313316

CS(=O)(=O)c1ccc2c(ccn2NC(=O)Oc2cnc(-c3cccnc3)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ PTGS2 P35354 6/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTGS1 P23219 2/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL12084011 0.87 CYP11B1 (0.43) CYP11B1CYP11B2PTGS2LMNAPOLB
SCHEMBL14312907 0.86 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL14313213 0.85 KDM4A (0.42) PTGS2PTGS1HTR2B
SCHEMBL14312803 0.79 MET (0.39) PTGS2PTGS1
SCHEMBL14313117 0.75 HPGDS (0.38) CYP11B1CYP11B2LMNAMEN1CYP1A2
SCHEMBL14312729 0.75 MET (0.39) CYP11B1CYP11B2
SCHEMBL14312670 0.75 LMNA (0.39) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL14312743 0.74 HPGDS (0.42) PTGS2PTGS1
SCHEMBL14312475 0.74 HPGDS (0.37) MEN1KMT2A
SCHEMBL12083762 0.72 HPGDS (0.43) PTGS2PTGS1

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
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
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