SCHEMBL5055982

SCHEMBL5055982

CCCCCCCCCCCCCCCCCCNC(=O)CCSc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.66
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 4/20 0.55
ALOX12 P18054 1/20 0.52
MAPT P10636 2/20 0.51
KMT2A Q03164 1/20 0.51
CASP2 P42575 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL8619397 0.93 HPGD (0.57) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8616296 0.93 HPGD (0.57) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8621478 0.91 HPGD (0.58) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8615172 0.91 HPGD (0.58) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8616688 0.91 HPGD (0.58) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9036946 0.91 HPGD (0.58) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8613529 0.91 HPGD (0.58) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8621032 0.91 HPGD (0.58) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8619539 0.90 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3670854 0.88 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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-20080206139-A1 DELIVERY SYSTEM FOR DIAGNOSTIC AND THERAPEUTIC AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2008-08-28 US disclosed
US-20070160658-A1 Delivery system for diagnostic and therapeutic agents THE PENN STATE RESEARCH FOUNDATION (US) 2007-07-12 US disclosed
WO-2007048019-A2 DELIVERY SYSTEM FOR DIAGNOSTIC AND THERAPEUTIC AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2007-04-26 WO disclosed