SCHEMBL8966489

SCHEMBL8966489

N#Cc1cccc(-c2nnc(N)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
QPCT Q16769 2/20 0.56
QPCTL Q9NXS2 1/20 0.56
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
PKM P14618 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
NOTUM Q6P988 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
CLK4 Q9HAZ1 1/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 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
SCHEMBL3615813 0.88 CLK4 (0.55) NOTUMHRH3CLK4ADORA2AADORA1
SCHEMBL11326673 0.80 KDM4E (0.59) KDM4EALDH1A1QPCTQPCTLMGAM
SCHEMBL2833531 0.78 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AQPCT
SCHEMBL3608623 0.77 CHRNB2 (0.54) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11337791 0.75 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL11324204 0.75 HSD17B1 (0.76) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL603197 0.75 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL3829254 0.75 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL368725 0.75 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL45441 0.73 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2AMGAM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698641-A1 Cationic 1,3,4-thiadiazole dyes BAYER AG (DE) 1996-02-28 EP disclosed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP disclosed