SCHEMBL9820910

SCHEMBL9820910

CC(C)(C)c1ccc(C2C(CN3CCOCC3)C2(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PRKDC P78527 2/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 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
SCHEMBL9821148 0.71 LMNA (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL9820961 0.71 TSHR (0.34) KMT2AMEN1POLB
SCHEMBL10367499 0.71 SIGMAR1 (0.45) SIGMAR1KMT2AMEN1PRKDCRAB9A
SCHEMBL12449601 0.68 SIGMAR1 (0.58) SIGMAR1KMT2AMEN1PRKDCRAB9A
SCHEMBL270530 0.68 SIGMAR1 (0.67) SIGMAR1KMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL15503144 0.67 SIGMAR1 (0.65) SIGMAR1KMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL15503302 0.67 SIGMAR1 (0.65) SIGMAR1KMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL23805529 0.66 SIGMAR1 (0.82) SIGMAR1KMT2AMEN1POLBHRH3
SCHEMBL12449602 0.66 SIGMAR1 (0.51) SIGMAR1KMT2AMEN1RAB9ANPC1
SCHEMBL270272 0.64 MAPT (0.65) SIGMAR1KMT2AMEN1PRKDCRAB9A

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-0188887-B1 TERTIARY AMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-02 EP disclosed
EP-0188887-A1 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-30 EP disclosed