SCHEMBL671196

SCHEMBL671196

CC(=O)CCSc1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MAOB P27338 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL5447638 0.85 ALDH1A1 (0.51) MAOAMAPTMEN1KMT2ACYP1A2
SCHEMBL1368566 0.83 MAOA (0.49) MAOAMAPTMEN1KMT2ACYP1A2
SCHEMBL670378 0.83 MAOA (0.51) MAOAMAPTCA1CA2CA4
SCHEMBL23704885 0.83 KMT2A (0.47) MAOAMAPTMEN1KMT2ACYP1A2
SCHEMBL3645531 0.81 ALDH1A1 (0.47) MAPTKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5450459 0.80 MAPT (0.47) MAOAMAPTMEN1KMT2ACYP1A2
SCHEMBL30753727 0.80 MAOA (0.58) MAOAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL27080715 0.80 MTNR1A (0.67) MAOAKMT2AMTNR1AMTNR1BRECQL
SCHEMBL6191672 0.79 ALDH1A1 (0.67) MAOAMAPTMEN1KMT2ACYP1A2
SCHEMBL6912718 0.78 ALDH1A1 (0.60) MAPTMEN1KMT2ACYP1A2CYP3A4

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
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 WO disclosed