SCHEMBL9822181

SCHEMBL9822181

COCc1nc2nc3c(c([S])n2n1)CCC3

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.33
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CREBBP Q92793 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
KDM1A O60341 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL9822097 0.97 PKM (0.35) LMNAPKMPOLB
SCHEMBL9822255 0.84 LMNA (0.33) LMNAPKMHTTRECQLSMN1; SMN2
SCHEMBL9822104 0.82 PKM (0.36) LMNAPKMPOLB
SCHEMBL9822417 0.81 LMNA (0.35) LMNAPKMSMN1; SMN2NPSR1KDM4E
SCHEMBL10397427 0.79 LMNA (0.33) LMNAPKMHTTRECQLSMN1; SMN2
SCHEMBL9822171 0.78 PKM (0.35) LMNAPKMRECQLNPSR1KDM4E
SCHEMBL10408137 0.74 PKM (0.45) LMNAPKMRECQLNPSR1KDM4E
SCHEMBL9822277 0.73 LMNA (0.39) LMNAPKMNPSR1KDM4EALDH1A1
SCHEMBL9822120 0.72 PKM (0.38) PKMHTTRECQLALDH1A1
SCHEMBL10698968 0.67 KDM4E (0.36) LMNAPKMSMN1; SMN2KDM4EALDH1A1

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-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed