SCHEMBL8699464

SCHEMBL8699464

CCc1cc(NC(=S)Oc2ccccc2)c(OC)nc1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
GRM1 Q13255 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
SCHEMBL6960156 0.91 ALDH1A1 (0.32) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6953240 0.87 KMT2A (0.46) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6962164 0.85 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL6956205 0.82 SMN1; SMN2 (0.43) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL9058236 0.82 SMN1; SMN2 (0.35) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6956643 0.79 SMN1; SMN2 (0.33) MAPTSMN1; SMN2POLBALDH1A1MAPKAPK2
SCHEMBL6966654 0.79 ALDH1A1 (0.43) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6956523 0.78 RAB9A (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL8699066 0.77 RAB9A (0.44) MAPTPOLBALDH1A1KDM4EMEN1
SCHEMBL8699761 0.76 RAB9A (0.43) MAPTALDH1A1KDM4EMAPKAPK2KMT2A

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed