SCHEMBL18834896

SCHEMBL18834896

CC(C)NSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.77
ALDH1A1 P00352 9/20 0.77
HPGD P15428 8/20 0.77
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
MAPK1 P28482 4/20 0.77
ATM Q13315 2/20 0.73
APOBEC3G Q9HC16 1/20 0.73
TP53 P04637 3/20 0.71
XBP1 P17861 2/20 0.71
HSD17B10 Q99714 6/20 0.66
GAA P10253 1/20 0.66
NOD2 Q9HC29 2/20 0.62
NOD1 Q9Y239 2/20 0.62
CXCL8 P10145 1/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
KDM1A O60341 1/20 0.59
BRAF P15056 1/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL16028826 0.87 TSHR (1.00) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL16028896 0.81 TSHR (0.84) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL18834052 0.79 ATM (0.72) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL16027995 0.78 ALDH1A1 (0.63) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL16028621 0.78 ATM (0.71) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL16028820 0.78 ATM (0.71) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL19375412 0.78 ATM (0.71) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL16028495 0.77 TSHR (0.67) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL16028236 0.75 ATM (0.67) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL5075029 0.72 POLB (0.84) TSHRALDH1A1HPGDMEN1KMT2A

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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 EP disclosed