SCHEMBL7951745

SCHEMBL7951745

COc1nccnc1NN.O=Cc1ccccc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
GRM5 P41594 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
SQOR Q9Y6N5 2/20 0.35
BTK Q06187 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Salicyladehyde SCHEMBL7961894 0.80 TRIM24 (0.47) ERN1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL29823771 0.77 KDM4E (0.50) ERN1GRM5KMT2AMEN1RAB9A
SCHEMBL893835 0.77 KDM4E (0.50) ERN1GRM5KMT2AMEN1RAB9A
SCHEMBL30062580 0.77 KDM4E (0.50) ERN1GRM5KMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL19893873 0.76 KDM4E (0.48) ERN1GRM5KMT2AMEN1RAB9A
SCHEMBL8498483 0.72 ERN1 (0.49) ERN1GRM5RAB9ASMN1; SMN2NPC1
SCHEMBL943566 0.72 MEN1 (0.47) GRM5KMT2AMEN1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL19552078 0.71 MEN1 (0.46) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL10958483 0.70 KDM4E (0.48) KMT2ARAB9ASMN1; SMN2NPC1TP53
SCHEMBL9442036 0.69 NPC1 (0.52) ERN1KMT2AMEN1RAB9ASMN1; SMN2

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
US-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US claimed
US-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US disclosed