SCHEMBL18190435

SCHEMBL18190435

O=C(CNC(=O)c1ccc[nH]1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL18196846 0.79 RAB9A (0.51) RAB9APOLBTHRATHRBKDM4E
SCHEMBL18196843 0.78 RAB9A (0.48) RAB9APOLBTHRBKDM4ENPC1
SCHEMBL3242636 0.71 KDM4E (0.55) POLBKDM4EHDAC3HDAC4HDAC1
SCHEMBL1623258 0.70 EPHX2 (0.61) RAB9APOLBKDM4EFAAHNPC1
SCHEMBL1171646 0.70 KDM4E (0.54) POLBKDM4EHDAC3HDAC4HDAC1
SCHEMBL23884376 0.68 ALDH1A1 (0.46) RAB9APOLBKDM4EHDAC6NPC1
SCHEMBL3454586 0.68 EPHX2 (0.68) RAB9AKDM4EFAAHNPC1MAPK1
SCHEMBL14157702 0.68 MEN1 (0.45) KDM4EKMT2A
SCHEMBL19798449 0.66 KMT2A (0.72) RAB9AFAAHNPC1MAPK1EPHX2
SCHEMBL28928859 0.66 POLB (0.52) RAB9APOLBKDM4EHDAC3HDAC4

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