SCHEMBL7576813

SCHEMBL7576813

CSc1nc(C)ccc1OC(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.48
P2RX7 Q99572 6/20 0.44
EPHX2 P34913 5/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL7578023 0.83 P2RX7 (0.49) MEN1KMT2AKDM4EALDH1A1P2RX7
SCHEMBL7571520 0.80 P2RX7 (0.58) MEN1KMT2AALDH1A1P2RX7
SCHEMBL7572957 0.75 RAB9A (0.48) MEN1KMT2AKDM4EALDH1A1ATM
SCHEMBL7571514 0.71 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1P2RX7
SCHEMBL19524633 0.71 P2RX7 (0.64) ALDH1A1P2RX7EPHX2
SCHEMBL7570515 0.70 P2RX7 (0.47) MEN1KMT2AKDM4EALDH1A1P2RX7
SCHEMBL7572606 0.69 P2RX7 (0.60) MEN1KMT2AALDH1A1P2RX7
SCHEMBL7572642 0.69 P2RX7 (0.43) MEN1KMT2AKDM4EALDH1A1P2RX7
Hydrochloric Acid SCHEMBL7570206 0.69 P2RX7 (0.48) MEN1KMT2AKDM4EALDH1A1ATM
SCHEMBL15537079 0.68 MAPT (0.63) MEN1KMT2AALDH1A1ATMP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed
WO-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO disclosed