SCHEMBL4055295

SCHEMBL4055295

c1ccc(NN2CCN(Nc3ccccc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 4/20 0.43
CYP1A2 P05177 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CTSD P07339 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX12 P18054 2/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.39
CYP2C19 P33261 3/20 0.39
IDO1 P14902 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1752645 0.90 KDM1A (0.50) ALDH1A1TDP1CYP1A2HSD17B10CTSD
SCHEMBL1829575 0.90 KDM1A (0.46) ALDH1A1TDP1CYP1A2HSD17B10CTSD
SCHEMBL1399548 0.89 SMN1; SMN2 (0.56) SMN1; SMN2HTR2BCYP2C19CYP2D6KMT2A
SCHEMBL17911056 0.87 KDM1A (0.53) ALDH1A1TDP1CYP1A2CTSDSMN1; SMN2
SCHEMBL73610 0.87 KDM1A (0.53) ALDH1A1TDP1CYP1A2CTSDSMN1; SMN2
SCHEMBL7627201 0.87 KDM1A (0.53) ALDH1A1TDP1CYP1A2CTSDSMN1; SMN2
Hydrochloric Acid SCHEMBL19996083 0.87 KDM1A (0.48) ALDH1A1TDP1CYP1A2HSD17B10CTSD
SCHEMBL644787 0.84 POLB (0.49) ALDH1A1TDP1CYP1A2CYP2D6KMT2A
SCHEMBL4553592 0.84 CYP1A2 (0.36) ALDH1A1TDP1CYP1A2HSD17B10CTSD
SCHEMBL657883 0.84 MAPT (0.50) ALDH1A1SMN1; SMN2ALOX12CYP2C19CYP2C9

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
EP-2078004-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-2078002-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-2078003-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-07-15 EP disclosed
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054701-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed