SCHEMBL7329142

SCHEMBL7329142

O=C(CCc1cccc(Br)c1)c1cnc2sc3c(n12)CCCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
DCTPP1 Q9H773 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7336361 0.88 MAPT (0.39) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7330176 0.85 HCAR2 (0.43) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7332091 0.81 KDM4E (0.44) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7332874 0.81 MAPT (0.46) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7336434 0.79 MAPT (0.37) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7328618 0.78 ALDH1A1 (0.41) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7338203 0.77 HSD17B3 (0.42) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7338205 0.77 HSD17B3 (0.42) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7329661 0.70 MAPT (0.52) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7328454 0.67 MAPT (0.71) MAPTLMNAALDH1A1KDM4EHSD17B10

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