SCHEMBL7963925

SCHEMBL7963925

NC(=O)c1c(Cl)c(-c2cccnc2)n2c1C=C(SCCN1C(=O)c3ccccc3C1=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
DHPS P49366 4/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 1/20 0.31
CYP11B2 P19099 1/20 0.31
P2RX7 Q99572 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
Hydrochloric Acid SCHEMBL7963671 0.85 MKNK1 (0.36) CYP11B2P2RX7
SCHEMBL7967794 0.81 MKNK1 (0.37) CYP11B2P2RX7
SCHEMBL7953077 0.77 MKNK1 (0.40) CYP11B2P2RX7
SCHEMBL7967737 0.76 MKNK1 (0.39) CYP11B2P2RX7
Hydrochloric Acid SCHEMBL7964870 0.75 MKNK1 (0.38) CYP11B2P2RX7
SCHEMBL7961775 0.73 MKNK1 (0.39) CYP11B2P2RX7
SCHEMBL2158254 0.69 MKNK1 (0.43) CYP11B2P2RX7
SCHEMBL8603547 0.68 MKNK1 (0.38) DHPSALDH1A1L3MBTL1CYP11B2P2RX7
SCHEMBL2157432 0.68 CYP11B2 (0.44) CYP11B2P2RX7
SCHEMBL7954992 0.68 CYP11B2 (0.41) MAPK1TSHRCYP11B2P2RX7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed