Toluene

Toluene

SCHEMBL7547892

CC(=O)c1ccnc(N)c1C(=O)O.Cc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.44
KDM4C Q9H3R0 1/20 0.40
PRKCI P41743 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
AKR1C3 P42330 1/20 0.38
ATR Q13535 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MYC P01106 1/20 0.35
MAPK1 P28482 1/20 0.35
KMO O15229 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL20520335 0.91 NAPRT (0.47) NAPRTKDM4CPRKCIKDM4EKMT2A
SCHEMBL7551785 0.87 KDM4E (0.40) NAPRTKDM4CKDM4EKMT2ATP53
Chlorobenzene SCHEMBL8805059 0.87 NAPRT (0.42) NAPRTKDM4CPRKCIKDM4EKMT2A
SCHEMBL28101555 0.80 NAPRT (0.41) NAPRTKDM4CPRKCIKDM4EKMT2A
SCHEMBL19857454 0.78 NAPRT (0.57) NAPRTKDM4CPRKCIKDM4EKMT2A
SCHEMBL7553608 0.78 NAPRT (0.46) NAPRTKDM4CPRKCIKMT2AAKR1C3
SCHEMBL20520322 0.77 NAPRT (0.52) NAPRTKDM4CPRKCIKDM4EKMT2A
SCHEMBL8798744 0.76 NAPRT (0.44) NAPRTKDM4CKDM4EKMT2AHSD17B10
SCHEMBL7547531 0.75 NAPRT (0.44) NAPRTKDM4CPRKCIKDM4EKMT2A
SCHEMBL7548771 0.74 BCAT2 (0.46) NAPRTKDM4CPRKCIKMT2AALDH1A1

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
WO-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1998-05-22 WO disclosed