SCHEMBL7951763

SCHEMBL7951763

Cc1c(C(=O)O)c2n(c1-c1cccnc1)CSC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GFER P55789 2/20 0.48
POLB P06746 1/20 0.46
GPR35 Q9HC97 2/20 0.41
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
TBXAS1 P24557 2/20 0.38
KMO O15229 1/20 0.37
CYP11B2 P19099 1/20 0.37
DHODH Q02127 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FYN P06241 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL10743662 0.89 LMNA (0.42) MEN1KMT2AGFERPOLBMKNK1
SCHEMBL7953609 0.87 MEN1 (0.53) MEN1KMT2AGFERCYP11B2ALDH1A1
SCHEMBL7946516 0.82 NPC1 (0.36) MEN1KMT2AGFERPOLBGPR35
SCHEMBL7946425 0.79 KDM4E (0.49) MEN1KMT2AGPR35MKNK1MKNK2
SCHEMBL7953590 0.78 CYP11B2 (0.44) CYP11B2KDM4EHTTALDH1A1MAPT
SCHEMBL10736745 0.78 KMT2A (0.44) MEN1KMT2AGFERPOLBMKNK1
SCHEMBL7957240 0.76 MKNK1 (0.39) MEN1KMT2AGFERPOLBMKNK1
SCHEMBL10742285 0.73 KMO (0.42) MEN1KMT2AGFERPOLBMKNK1
SCHEMBL8328659 0.73 GPR35 (0.38) GPR35MKNK1MKNK2TBXAS1KMO
SCHEMBL8325141 0.71 KDM4E (0.39) POLBGPR35MKNK1MKNK2TBXAS1

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed