SCHEMBL2171086

SCHEMBL2171086

CCOc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
NQO1 P15559 1/20 0.52
MAPT P10636 2/20 0.51
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CYP1A2 P05177 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CYP2A6 P11509 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
MEN1 O00255 4/20 0.45

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
SCHEMBL8430587 0.96 KMT2A (0.50) KMT2ANQO1MAPTAKR1C3AKR1C2
SCHEMBL3825385 0.87 NQO1 (0.68) KMT2ANQO1MAPTAKR1C3AKR1C2
SCHEMBL29629327 0.87 NQO1 (0.68) KMT2ANQO1MAPTAKR1C3AKR1C2
SCHEMBL23458226 0.82 NQO1 (0.62) KMT2ANQO1MAPTAKR1C3AKR1C2
SCHEMBL29779700 0.82 NQO1 (0.62) KMT2ANQO1MAPTAKR1C3AKR1C2
SCHEMBL3821099 0.82 NQO1 (0.62) KMT2ANQO1MAPTAKR1C3AKR1C2
SCHEMBL14579302 0.81 CA12 (0.47) KMT2AMAPTCA12CA1CA4
SCHEMBL30199419 0.80 CYP2A6 (0.43) KMT2AMAPTCYP1A2CYP2A6MEN1
SCHEMBL23832437 0.80 CYP2A6 (0.43) KMT2AMAPTCYP1A2CYP2A6MEN1
SCHEMBL156543 0.80 NQO1 (0.74) KMT2ANQO1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348315-B1 PREPARATION AND ITS USE OF DERIVATISATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE CHANGZHOU MULTIPLE DIMENSION INST OF INDUSTRY TECHNOLOGY CO LTD (CN) 2013-12-18 EP disclosed
EP-2360141-B1 A PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CHANGZHOU MULTIPLE DIMENSION INST OF INDUSTRY TECHNOLOGY CO LTD (CN) 2013-12-11 EP disclosed
EP-2360141-A1 A PREPARATION METHOD OF HIGH-PURITY L-CARNITINE Changzhou Multiple Dimension Institute Of Industry Technology Co., Ltd. (CN) 2011-08-24 EP disclosed
EP-2348315-A1 PREPARATION AND ITS USE OF DERIVATISATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE Changzhou Multiple Dimension Institute Of Industry Technology Co., Ltd. (CN) 2011-07-27 EP disclosed