SCHEMBL6965274

SCHEMBL6965274

COc1nc(C)c(C)cc1NC(=O)N1CCN(c2ccsc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 3/20 0.41
THRB P10828 1/20 0.41
HTR1A P08908 3/20 0.41
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
RBP4 P02753 1/20 0.41
TSHR P16473 1/20 0.41
PANK3 Q9H999 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 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
SCHEMBL6954299 0.89 RBP4 (0.41) PI4KBTHRBHTR1AHTR1DHTR1B
SCHEMBL7139732 0.85 RBP4 (0.43) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6559720 0.84 MAPT (0.39) PI4KBHTR1AHTR1DHTR1BMAPT
SCHEMBL8701091 0.83 THRB (0.55) THRBHTR1AHTR1DHTR1BMAPT
SCHEMBL6966645 0.82 MAPT (0.60) HTR1AHTR1DHTR1BMAPTLMNA
SCHEMBL6961499 0.82 MAPT (0.48) PI4KBTHRBHTR1AHTR1DHTR1B
SCHEMBL8705827 0.82 LMNA (0.61) HTR1AHTR1DHTR1BMAPTLMNA
SCHEMBL9058218 0.82 PANK3 (0.62) HTR1AHTR1DHTR1BMAPTLMNA
SCHEMBL8703774 0.82 THRB (0.47) THRBHTR1AHTR1DHTR1BMAPT
SCHEMBL6954279 0.81 KMT2A (0.49) PI4KBMAPTLMNAALDH1A1MAPK1

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