SCHEMBL8084838

SCHEMBL8084838

CCCCNc1ccc(C(=O)CSc2ccnc3ccccc23)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
UTS2R Q9UKP6 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 4/20 0.37
PRNP P04156 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8089897 0.85 HDAC6 (0.50) KMT2AMEN1CYP1A2POLBPRNP
SCHEMBL8084792 0.81 NPSR1 (0.44) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL8084836 0.74 ALDH1A1 (0.54) KMT2AMEN1CYP1A2POLBPRNP
SCHEMBL8088268 0.72 HSD17B10 (0.50) KMT2AMEN1CYP1A2POLBPRNP
SCHEMBL8088233 0.72 RAB9A (0.42) KMT2AMEN1RAB9ASMN1; SMN2HTT
SCHEMBL8084102 0.71 HTR2C (0.53) KMT2AMEN1CYP1A2POLBHDAC6
SCHEMBL8084786 0.71 GCGR (0.59) KMT2AMEN1CYP1A2POLBPRNP
SCHEMBL8084739 0.71 ALDH1A1 (0.60) KMT2AMEN1CYP1A2PRNPRXFP1
SCHEMBL8084097 0.71 HTR2C (0.48) KMT2AMEN1CYP1A2POLBPRNP
SCHEMBL8084741 0.71 ALDH1A1 (0.50) KMT2AMEN1CYP1A2POLBPRNP

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed