SCHEMBL11722262

SCHEMBL11722262

CC(=O)N1C(=O)CCCCc2cc(I)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.49
PDE5A O76074 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SRD5A1 P18405 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 1/20 0.33
HSD17B3 P37058 1/20 0.33
POLB P06746 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
SCHEMBL9843864 0.79 NOTUM (0.56) NOTUMAVPR2AVPR1ASRD5A1HDAC1
SCHEMBL4520413 0.76 NOTUM (0.62) NOTUMTP53KDM4EALDH1A1L3MBTL1
SCHEMBL8553135 0.75 BMPR1B (0.46) SRD5A1ALDH1A1MAPT
SCHEMBL9442261 0.73 NOTUM (0.59) NOTUMSRD5A1HDAC1HDAC8HDAC6
SCHEMBL4514374 0.72 NOTUM (0.69) NOTUMTP53KDM4EALDH1A1MAPT
SCHEMBL2061464 0.71 ATAD2 (0.47) NOTUMAVPR2AVPR1AKDM4EALDH1A1
SCHEMBL27656558 0.69 SMN1; SMN2 (0.38) NOTUMALDH1A1L3MBTL1POLB
SCHEMBL6690377 0.69 PDE5A (0.67) NOTUMPDE5AKDM4ESRD5A1ALDH1A1
SCHEMBL6199079 0.68 NOTUM (0.72) NOTUMKDM4EALDH1A1L3MBTL1HSD17B3
SCHEMBL8554279 0.68 CYP11B2 (0.51) SRD5A1

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
US-4008267-A ANALYZING AB KABI (SW) 1977-02-15 US disclosed