SCHEMBL7097024

SCHEMBL7097024

OC(c1ccccc1)c1ccc2cccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 1/20 0.47
LMNA P02545 2/20 0.45
OGA O60502 2/20 0.45
MET P08581 1/20 0.43
NPC1 O15118 1/20 0.42
TRPM8 Q7Z2W7 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
SCHEMBL8917474 0.87 MET (0.54) ALDH1A1MEN1CASP1KMT2ACYP3A4
SCHEMBL9192602 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAOGAMET
SCHEMBL8918249 0.80 NR4A2 (0.51) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL17541507 0.79 UGT2B7 (0.56) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL30644683 0.79 UGT2B7 (0.56) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL31023643 0.79 NPC1 (0.57) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL401341 0.77 NR4A2 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL477557 0.76 UGT2B7 (0.61) MEN1KMT2ACYP3A4CYP2D6SLC6A2
SCHEMBL477559 0.76 UGT2B7 (0.61) MEN1KMT2ACYP3A4CYP2D6SLC6A2
SCHEMBL30161628 0.76 UGT2B7 (0.61) MEN1KMT2ACYP3A4CYP2D6SLC6A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP disclosed
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US disclosed
CN-1033752-C (1H-azol-1-ylmethyl) substituted quinoline or quinolinone derivatives JANSSEN PHARMACEUTICA NV (SE) 1997-01-08 CN disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 US disclosed
CN-1106004-A A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 CN disclosed
CN-1106005-A A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 CN disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
US-5268380-A Therapy for keratinization in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-07 US disclosed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 US disclosed
CN-1042912-A (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1990-06-13 CN disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP disclosed