SCHEMBL28030638

SCHEMBL28030638

Cc1cc(C)cc(CCC(=O)CCc2cc(C)cc(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
FFAR1 O14842 2/20 0.44
IAPP P10997 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
TPMT P51580 1/20 0.41
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL5846204 0.84 FFAR1 (0.61) FFAR1FFAR4TPMTNPSR1
SCHEMBL9632300 0.84 ALDH1A1 (0.54) KMT2AFFAR1IAPPFFAR4TPMT
SCHEMBL4910633 0.82 PGK1 (0.48) KMT2AFFAR1IAPPTDP1L3MBTL1
SCHEMBL5846491 0.82 FFAR1 (0.42) KMT2AFFAR1TDP1L3MBTL1FFAR4
SCHEMBL27964907 0.82 CAPN1 (0.46) KMT2AFFAR1FFAR4TPMTPGK1
SCHEMBL11392001 0.79 GPR17 (0.42) KMT2AIAPPTDP1L3MBTL1ALOX5
SCHEMBL9861207 0.79 KMT2A (0.49) KMT2AFFAR1FFAR4HDAC8CNR1
SCHEMBL7337631 0.79 TAAR1 (0.57) KMT2AFFAR1TDP1L3MBTL1FFAR4
SCHEMBL27986450 0.78 KMT2A (0.43) KMT2AFFAR1TDP1ALOX5FFAR4
SCHEMBL28135123 0.77 IAPP (0.42) KMT2AFFAR1IAPPTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109863140-A 3- oxo -2,6- diphenyl -2,3- dihydrogen dazin -4- formamide 拜耳医药股份有限公司 2019-06-07 CN disclosed
CN-108368102-A 2- amino -1,3,4- thiadiazines and antifungal agent based on 2- amino -1,3,4- oxadiazines F2G有限公司 2018-08-03 CN disclosed
CN-105164113-A Pyrroloamide inhibitors ABBVIE INC 2015-12-16 CN disclosed
CN-102482284-B Pyrazolopyrimidine compounds and methods as JAK inhibitors GENENTECH, INC. (US) 2015-11-25 CN disclosed
CN-104910161-A Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH INC 2015-09-16 CN disclosed
CN-102341379-B Benzothiazine derivative, its preparation method and the application as medicine thereof PIERRE FABRE MEDICAMENT (FR) 2015-08-26 CN disclosed