SCHEMBL7963509

SCHEMBL7963509

COC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
ABL1 P00519 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NR4A2 P43354 1/20 0.37
HCRTR1 O43613 1/20 0.36
HTR2C P28335 4/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 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
SCHEMBL7964875 0.89 CYP11B2 (0.37) ABL1ALDH1A1TDP1HCRTR1CYP11B2
SCHEMBL7962238 0.87 CYP11B2 (0.41) ABL1ALDH1A1TDP1CYP2C9CYP11B2
SCHEMBL7964717 0.86 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TDP1NR4A2
SCHEMBL7952536 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1NR4A2GABRA1
SCHEMBL7962101 0.85 NR4A2 (0.40) ABL1MEN1KMT2AALDH1A1NR4A2
SCHEMBL7967855 0.83 UCHL1 (0.40) MEN1KMT2AALDH1A1TDP1GABRA1
SCHEMBL7965416 0.82 ABL1 (0.37) ABL1MEN1KMT2AHCRTR1HTR2C
SCHEMBL7963301 0.81 HCRTR1 (0.34) MEN1KMT2AALDH1A1HCRTR1
SCHEMBL7961681 0.79 CYP11B2 (0.37) KMT2AALDH1A1TDP1CYP11B1CYP11B2
SCHEMBL8328648 0.78 KDM4E (0.38) KMT2AALDH1A1CYP11B2

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