SCHEMBL8941898

SCHEMBL8941898

Cc1c(C)c(F)c(NC(=O)c2cnoc2C2CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CRACR2A Q9BSW2 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
THRB P10828 1/20 0.38
PIM1 P11309 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL9639005 0.75 DHODH (0.44) DHODHHTTCRACR2ANPC1RAB9A
SCHEMBL1027062 0.71 DHODH (0.44) DHODHKMT2ALMNASMN1; SMN2TAS1R3
SCHEMBL9638659 0.71 LMNA (0.56) DHODHNPC1RAB9ALMNATAS1R3
SCHEMBL8063449 0.71 DHODH (0.73) DHODHHTTMEN1KMT2ACRACR2A
SCHEMBL8045714 0.71 RAB9A (0.47) DHODHHTTMEN1KMT2ACRACR2A
SCHEMBL8045733 0.71 CRACR2A (0.51) DHODHHTTCRACR2ANPC1RAB9A
SCHEMBL14648620 0.70 DHODH (0.43) DHODHHTTCRACR2ANPC1RAB9A
SCHEMBL8057748 0.70 RAB9A (0.53) DHODHHTTMEN1KMT2ACRACR2A
SCHEMBL9639001 0.70 LMNA (0.62) DHODHHTTNPC1RAB9ALMNA
SCHEMBL27513121 0.70 DHODH (0.46) DHODHCRACR2ALMNATAS1R3TAS1R1

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-5506249-A ANTIINFLAMMATORY, ANTIPROLIFERATIVE AND ANTITUMOR ACTIVITY ROUSSEL UCLAF (FR) 1996-04-09 US claimed