SCHEMBL7337668

SCHEMBL7337668

C=C(C(=O)c1cnc2sc3c(n12)CCCCC3)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
MAPT P10636 12/20 0.39
RXFP1 Q9HBX9 6/20 0.39
TP53 P04637 4/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL7329830 0.65 NPC1 (0.44) LMNAKDM4EALDH1A1HSD17B10NPC1
SCHEMBL7336251 0.64 MAPT (0.46) LMNAKDM4EALDH1A1HSD17B10NPC1
SCHEMBL29758291 0.63 CES2 (0.62) LMNAKDM4EALDH1A1HSD17B10NPC1
SCHEMBL29758292 0.63 CES2 (0.62) LMNAKDM4EALDH1A1HSD17B10NPC1
SCHEMBL28351547 0.63 CES2 (0.62) LMNAKDM4EALDH1A1HSD17B10NPC1
SCHEMBL30298160 0.61 BCL2L1 (0.53) KDM4EALDH1A1HSD17B10RAB9AMAPT
SCHEMBL3007215 0.61 KDM4E (0.63) KDM4EALDH1A1HSD17B10MAPTTP53
SCHEMBL7338466 0.60 DCTPP1 (0.41) LMNAKDM4EALDH1A1HSD17B10NPC1
SCHEMBL5675369 0.60 ALDH1A1 (0.71) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL124455 0.60 KDM4E (0.61) KDM4EALDH1A1HSD17B10NPC1RAB9A

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
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