SCHEMBL27466604

SCHEMBL27466604

COc1nc(C)c(C)cc1N(C(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
LIPE Q05469 3/20 0.38
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAOB P27338 2/20 0.35
LMNA P02545 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
PTGES O14684 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL7628968 0.86 MEN1 (0.46) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL8706000 0.84 TSHR (0.44) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL8706005 0.81 MEN1 (0.40) L3MBTL1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7626374 0.72 MEN1 (0.40) MEN1KMT2ATSHRRAB9ASMN1; SMN2
SCHEMBL867886 0.72 L3MBTL1 (1.00) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL8699309 0.72 TSHR (0.39) ATML3MBTL1MEN1KMT2ATSHR
Benzene SCHEMBL27466605 0.71 ALDH1A1 (0.48) ATMNPSR1MEN1KMT2ARAB9A
SCHEMBL6965290 0.71 ALDH1A1 (0.48) ATMNPSR1MEN1KMT2ARAB9A
SCHEMBL21729903 0.71 L3MBTL1 (0.76) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL8699460 0.71 TSHR (0.39) L3MBTL1MEN1KMT2ATSHRRAB9A

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
CN-1152015-C Piperazine devivatives and process for preparation thereof ������ҩ��ʽ���� 2004-06-02 CN disclosed
CN-1196724-A Novel piperazine derivative and process for producing the same SAMJIN PHARM CO LTD (KR) 1998-10-21 CN disclosed