SCHEMBL6963652

SCHEMBL6963652

Cc1nc2ccccc2cc1NC(=O)N1CCN(c2ccsc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.44
FAAH O00519 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
PANK3 Q9H999 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
RBP4 P02753 1/20 0.41
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
PI4KB Q9UBF8 1/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KLK7 P49862 1/20 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
SCHEMBL7139732 0.88 RBP4 (0.43) HCAR2FAAHTRPV1PANK3KMT2A
SCHEMBL6962010 0.85 RBP4 (0.57) HCAR2FAAHTRPV1PANK3KMT2A
SCHEMBL6961396 0.83 PANK3 (0.63) HCAR2FAAHTRPV1PANK3KMT2A
SCHEMBL6960999 0.83 KDM4E (0.52) HCAR2TRPV1PANK3KMT2AMEN1
SCHEMBL6952726 0.82 MAPT (0.55) FAAHTRPV1PANK3KMT2AMEN1
SCHEMBL6963644 0.81 KMT2A (0.48) HCAR2FAAHTRPV1PANK3KMT2A
SCHEMBL6963523 0.81 MAPT (0.60) FAAHUSP2RBP4KDM4EALDH1A1
SCHEMBL6961546 0.81 KDM4E (0.48) HCAR2FAAHPANK3KMT2AMEN1
SCHEMBL6958779 0.80 RBP4 (0.49) HCAR2FAAHPANK3KMT2ARBP4
SCHEMBL6964324 0.79 MAPT (0.54) FAAHPANK3RBP4KDM4EGAA

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed