SCHEMBL7964875

SCHEMBL7964875

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 3/20 0.36
HCRTR1 O43613 2/20 0.36
ABL1 P00519 3/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BLM P54132 1/20 0.35
ACHE P22303 1/20 0.35
ALOX15 P16050 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
SCHEMBL7962238 0.90 CYP11B2 (0.41) CYP11B2TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL7963509 0.89 CFTR (0.40) CYP11B2TDP1ALDH1A1HCRTR1ABL1
SCHEMBL7961904 0.85 CYP11B2 (0.39) CYP11B2TDP1ALDH1A1LMNAKDM4E
SCHEMBL7963284 0.84 UCHL1 (0.40) CYP11B2ALDH1A1HTTKDM4EBLM
SCHEMBL7967732 0.84 CYP11B2 (0.39) CYP11B2TDP1ALDH1A1LMNAP2RX7
SCHEMBL7961681 0.83 CYP11B2 (0.37) CYP11B2TDP1ALDH1A1P2RX7KDM4E
SCHEMBL7965403 0.81 HCRTR1 (0.34) HCRTR1ABL1HCRTR2
SCHEMBL7952972 0.80 HCRTR1 (0.34) ALDH1A1HCRTR1HCRTR2
SCHEMBL8325141 0.79 KDM4E (0.39) CYP11B2TDP1ALDH1A1LMNAKDM4E
SCHEMBL7964715 0.78 CYP11B2 (0.43) CYP11B2TDP1ALDH1A1LMNAKDM4E

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 4 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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO 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