SCHEMBL7961833

SCHEMBL7961833

CC(=O)c1c(C)c(-c2cccnc2Cl)n2c1C=CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.38
ALDH1A1 P00352 2/20 0.32
TDP2 O95551 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C19 P33261 2/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
SMO Q99835 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8329410 0.91 DHODH (0.44) DHODHMAPTCYP2C19POLBNPC1
SCHEMBL7962627 0.90 DHODH (0.37) DHODHALDH1A1MAPTCYP2C19POLB
SCHEMBL7952437 0.90 DHODH (0.34) DHODHALDH1A1TDP2MAPTPOLB
SCHEMBL7963830 0.88 DHODH (0.36) DHODHALDH1A1TDP2MAPTCYP2C19
SCHEMBL7967747 0.87 DHODH (0.38) DHODHALDH1A1TDP2
SCHEMBL7964306 0.86 MAPT (0.32) DHODHMAPTCYP2C19POLB
SCHEMBL7963785 0.85 KDM4E (0.32) DHODHALDH1A1MAPTRAB9AKDM4E
SCHEMBL7967150 0.85 POLB (0.33) DHODHPOLB
SCHEMBL8328807 0.82 DHODH (0.39) DHODHMAPTCYP2C19POLBNPC1
SCHEMBL7965560 0.81 HPGD (0.32) DHODHALDH1A1SMN1; SMN2LMNA

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-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 claimed
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