SCHEMBL11512754

SCHEMBL11512754

CCCCCCCCSc1nnc(-c2ccc(N)cc2)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC2 Q92769 2/20 0.45
LMNA P02545 2/20 0.45
PTK2 Q05397 1/20 0.45
DRD2 P14416 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL11511071 0.90 KDM4E (0.57) KDM4EMEN1KMT2ATSHRALOX15
SCHEMBL11510029 0.82 ALDH1A1 (0.52) KDM4EMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9402280 0.81 KDM4E (0.70) KDM4EMEN1KMT2ATSHRALOX15
SCHEMBL11511765 0.78 NPC1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL10432414 0.74 OPRK1 (0.64) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL11512132 0.74 DRD2 (0.78) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9402219 0.74
SCHEMBL6406195 0.73 KDM4E (0.74) KDM4EMEN1KMT2ATSHRALOX15
SCHEMBL11509955 0.73 TSHR (0.43) MEN1KMT2ATSHRALDH1A1HTT
SCHEMBL11512453 0.73 ALDH1A1 (0.51) MEN1KMT2ATSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 US disclosed