SCHEMBL7895802

SCHEMBL7895802

NC(=O)N1C(=O)C(C(=O)c2cc(Cl)cs2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.38
AADAT Q8N5Z0 1/20 0.36
MDM2 Q00987 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAT2A P31153 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL7892533 0.86
SCHEMBL7894129 0.80 AADAT (0.32) AADAT
SCHEMBL8653298 0.76
SCHEMBL7895781 0.76 GSK3B (0.37) AADATMAPT
SCHEMBL7894079 0.74 MEN1 (0.35) AADATMAPT
SCHEMBL7895796 0.73 ALDH1A1 (0.34) AADATALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL7892515 0.73 TP53 (0.32) CYP3A4CYP2C9CYP2C19
SCHEMBL8627721 0.72 NPC1 (0.41) P2RX4AADATALDH1A1NPSR1MAPT
SCHEMBL8557974 0.72 MEN1 (0.41) ALDH1A1NPSR1CYP1A2MAPTCYP2C9
SCHEMBL6542282 0.72 MEN1 (0.41) ALDH1A1NPSR1CYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174883-B1 ENZYME INHIBITORS OF PROSTAGLANDIN H2 SYNTHASE, 5-LIPOXYGENASE; INHIBITORS OF INTERLEUKIN-1 BIOSYNTHESIS; ANALGESICS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; BONE, CONNECTIVE TISSUE METABOLISM AND SKIN DISORDERS PFIZER INC. 2001-01-16 US disclosed
US-5919809-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1999-07-06 US disclosed
EP-0393936-B1 3-substituted-2-oxindole derivatives as antiinflammatory agents PFIZER (US) 1995-02-22 EP disclosed
US-5300655-A 2-carboxy-thiophene derivatives PFIZER INC. (US) 1994-04-05 US disclosed
US-5290802-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1994-03-01 US disclosed
US-5047554-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1991-09-10 US disclosed
EP-0393936-A1 3-substituted-2-oxindole derivatives as antiinflammatory agents PFIZER INC. (US) 1990-10-24 EP disclosed