SCHEMBL7828156

SCHEMBL7828156

Cc1ccc(Cl)c(P(=O)(O)O)c1.Cc1ccccc1/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.44
KMT2A Q03164 6/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
MEN1 O00255 5/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL7828158 1.00 RORC (0.44) RORCKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7828162 0.85 RORC (0.40) RORCKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4333508 0.82 ALDH1A1 (0.51) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL4333500 0.82 ALDH1A1 (0.51) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL7828163 0.82 RORC (0.44) RORCKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL19436969 0.70 MAPT (0.52) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL19436968 0.70 MAPT (0.52) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL11218795 0.67 AKR1C1 (0.66) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL11220467 0.67 AKR1C1 (0.66) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL11220464 0.67 AKR1C1 (0.66) KMT2AMAPTSMN1; SMN2MEN1MAPK1

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed