SCHEMBL28080095

SCHEMBL28080095

Fc1ccc(-c2ccc3nc4n(c3c2)CCC4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
APP P05067 1/20 0.39
MAOB P27338 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
CFTR P13569 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
GOPC Q9HD26 1/20 0.39

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
SCHEMBL28080097 0.81 SMN1; SMN2 (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21320580 0.78 CYP11B1 (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21320926 0.78 PIK3CD (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL24201007 0.77 MEN1 (0.38) TGFBR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL21320757 0.75 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14006090 0.75 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3029049 0.75 SMN1; SMN2 (0.64) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21320697 0.75 RAB9A (0.36) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21321045 0.75 MAP4K4 (0.40) TGFBR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL20017169 0.75 PIK3CA (0.45) MEN1KMT2AKDM4EALDH1A1SMN1; 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
CN-105814048-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed