SCHEMBL5213600

SCHEMBL5213600

COc1ccc(C(C)N2CCN(C(=O)NC3CCCCC3)CC2CC(N)=O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.41
EPHX1 P07099 1/20 0.41
KMT2A Q03164 1/20 0.41
SHMT2 P34897 1/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5191190 0.81 HIF1A (0.47) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5193553 0.81 PDGFRB (0.45) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5190656 0.81 KMT2A (0.53) ALDH1A1POLBMAPTGFERSMN1; SMN2
SCHEMBL5193931 0.80 HIF1A (0.42) ALDH1A1
SCHEMBL5190760 0.76 ALDH1A1 (0.49) ALDH1A1POLBMAPTGFERSMN1; SMN2
SCHEMBL5206469 0.76 POLB (0.50) ALDH1A1POLB
SCHEMBL5193490 0.74 FAAH (0.50) MAPTSHMT2
SCHEMBL5193973 0.72 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5190772 0.71 OGA (0.46) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5194017 0.70 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed