SCHEMBL9909950

SCHEMBL9909950

CC1N=C(c2cccs2)C=CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34
PBRM1 Q86U86 1/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3734888 0.64 HPGD (0.51) GAAMAPK1HPGDKDM4EALDH1A1
SCHEMBL11756632 0.63 KDM4E (0.39) HTR2CHTR2BGAAHPGDKDM4E
SCHEMBL19256856 0.62 HTR2C (0.36) HTR2CHTR2BGAAHPGDKDM4E
SCHEMBL8276311 0.62 MAPT (0.38) HTR2CHTR2BMAPK1HPGDKDM4E
SCHEMBL30631871 0.60 HPGD (0.47) GAAMAPK1HPGDKDM4EALDH1A1
SCHEMBL3545 0.60 L3MBTL1 (0.57) GAAMAPK1HPGDKDM4EALDH1A1
SCHEMBL16291133 0.60 L3MBTL1 (0.57) GAAMAPK1HPGDKDM4EALDH1A1
SCHEMBL3807322 0.59 KDM4E (0.42) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL21663856 0.58 HTR2C (0.47) HTR2CHTR2BGAAMAPK1HPGD
Ammonia Solution, Strong SCHEMBL34467257 0.58 L3MBTL1 (0.55) GAAMAPK1HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012074980-A2 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISORDERS AND LIVER DISORDERS USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2012-06-07 WO disclosed
WO-2010141696-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2010-12-09 WO disclosed
EP-1414809-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER CORP (US) 2008-03-12 EP disclosed