SCHEMBL9839009

SCHEMBL9839009

C[CH]c1ccc2c(c1)[nH]c1ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ C5 P01031 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ CHUK O15111 1/20 0.49
▸ PARP1 P09874 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ KIF11 P52732 3/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ CDC25A P30304 1/20 0.38
▸ CDC25C P30307 1/20 0.38

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
SCHEMBL9836963 0.79 KIF11 (0.68) MAPTKIF11
SCHEMBL550449 0.78 CHUK (0.60) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL29453525 0.78 CHUK (0.64) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL607827 0.78 CHUK (0.64) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL2760335 0.77 KIF11 (0.64) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL18212083 0.74 CHUK (0.53) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL30180971 0.74 PTGS2 (0.54) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL2141394 0.73 PARP1 (0.61) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL23201853 0.73 PTGS2 (0.50) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL8004981 0.73 KIF11 (0.65) PTGS2MEN1MAPTKMT2AABCC4

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-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 — — US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 — — EP disclosed
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