SCHEMBL10736745

SCHEMBL10736745

NC(=O)c1c(Br)c(-c2cccnc2)n2c1CSC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GFER P55789 2/20 0.44
MKNK1 Q9BUB5 6/20 0.40
MKNK2 Q9HBH9 5/20 0.40
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
CYP11B2 P19099 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
SARM1 Q6SZW1 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 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 0.86 LMNA (0.42) KMT2AMEN1GFERMKNK1MKNK2
SCHEMBL7957240 0.84 MKNK1 (0.39) KMT2AMEN1GFERMKNK1MKNK2
SCHEMBL7957167 0.79 MKNK1 (0.40) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7946510 0.78 CYP11B2 (0.42) KMT2ALMNACYP1A2CYP3A4CYP11B2
SCHEMBL7951763 0.78 MEN1 (0.48) KMT2AMEN1GFERMKNK1MKNK2
SCHEMBL7953609 0.75 MEN1 (0.53) KMT2AMEN1GFERCYP11B2RXFP1
SCHEMBL10736493 0.74 MKNK1 (0.46) KMT2AMKNK1MKNK2RXFP1PKN1
Iodide SCHEMBL10859030 0.73 MKNK1 (0.46) KMT2AMKNK1MKNK2RXFP1PKN1
SCHEMBL7946516 0.70 NPC1 (0.36) KMT2AMEN1GFERPOLBCYP1A2
SCHEMBL10736187 0.69 MKNK1 (0.37) MKNK1MKNK2LMNACYP1A2CYP3A4

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-4684658-A Anti-thrombotic ortho-condensed pyrrole derivatives, compositions, and method of use therefor RHONE-POULENC SANTE (FR) 1987-08-04 US claimed
US-4684658-A Anti-thrombotic ortho-condensed pyrrole derivatives, compositions, and method of use therefor RHONE-POULENC SANTE (FR) 1987-08-04 US disclosed