SCHEMBL7981573

SCHEMBL7981573

C=CC(=O)N(C[C]=O)c1ncccc1NC(=O)CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
GSTO1 P78417 1/20 0.36
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GPR35 Q9HC97 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL7742747 0.91 BRD4 (0.45) BRD4GSTO1TSHRMAPTHPGD
SCHEMBL7742663 0.89 TSHR (0.41) BRD4TSHRMAPTLMNAHPGD
SCHEMBL7748118 0.88 BRD4 (0.37) BRD4TSHRMAPTLMNAHPGD
SCHEMBL7742440 0.85 MEN1 (0.41) BRD4TSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL7749931 0.84 PTPN1 (0.40) RECQLNPC1RAB9AKDM4E
SCHEMBL7747197 0.84 ATM (0.37) BRD4LMNAHPGDALDH1A1POLB
SCHEMBL7748511 0.83 GSTO1 (0.32) GSTO1POLBKDM4ETDP1BCL2A1
SCHEMBL7749850 0.82 CA1 (0.39) ALDH1A1POLB
SCHEMBL7749704 0.82 KDM4E (0.36) MAPTLMNAHPGDALDH1A1POLB
SCHEMBL7747491 0.81 NPC1 (0.45) MAPTLMNASMN1; SMN2NPC1RAB9A

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-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed