SCHEMBL7328558

SCHEMBL7328558

O=Cc1cnc2sc3c(n12)CCCCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
DCTPP1 Q9H773 1/20 0.42
RXFP1 Q9HBX9 3/20 0.34
TP53 P04637 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7332194 1.00 MAPT (0.47) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7337989 0.95 MAPT (0.45) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7329661 0.75 MAPT (0.52) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7335315 0.73 MAPT (0.50) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7329395 0.73 MAPT (0.50) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7330467 0.71 MAPT (0.51) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL11031269 0.70 MAPT (0.48) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7328454 0.69 MAPT (0.71) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7331948 0.69 MAPT (0.71) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7331586 0.68 MAPT (0.48) MAPTALDH1A1KDM4ELMNAHSD17B10

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-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed