SCHEMBL8084792

SCHEMBL8084792

CCCCCCCNc1ccc(C(=O)CSc2ccnc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
S1PR2 O95136 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAPT P10636 3/20 0.41

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
SCHEMBL8076734 0.81 HDAC6 (0.47) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8084838 0.81 HTR1A (0.40) LMNASMN1; SMN2HDAC6HTR1AADRA1D
SCHEMBL8076787 0.78 KDR (0.40) NPSR1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8088227 0.78 DNMT1 (0.44) NPSR1LMNASMN1; SMN2HDAC3HDAC4
SCHEMBL8088268 0.78 HSD17B10 (0.50) NPSR1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL8084102 0.76 HTR2C (0.53) NPSR1LMNASMN1; SMN2HDAC3HDAC4
SCHEMBL8084739 0.76 ALDH1A1 (0.60) NPSR1LMNASMN1; SMN2HDAC5MAPT
SCHEMBL8084741 0.76 ALDH1A1 (0.50) NPSR1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL8084097 0.76 HTR2C (0.48) NPSR1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL8084606 0.76 MAPT (0.45) NPSR1LMNASMN1; SMN2MAPTALDH1A1

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