SCHEMBL18190519

SCHEMBL18190519

NC(NC(=O)C=Cc1ccc[nH]1)C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ P2RX7 Q99572 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL18196843 0.70 RAB9A (0.48) RAB9ANPC1HTTSMN1; SMN2MAPK1
SCHEMBL5031002 0.69 MEN1 (0.58) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL5031005 0.69 MEN1 (0.58) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL1609393 0.66 MAPT (0.59) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL1609392 0.66 MAPT (0.59) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL30478655 0.64 MAPT (0.61) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL10384632 0.64 MAPT (0.65) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL1079166 0.62 MAPT (0.68) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29951439 0.62 MAPT (0.68) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL1079165 0.62 MAPT (0.68) RAB9AMAPTNPC1HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016176450-A1 TAMBJAMINES AND B-RING FUNCTIONALIZED PRODIGININES PORTLAND STATE UNIVERSITY (US) 2016-11-03 — — WO disclosed
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