SCHEMBL6579994

SCHEMBL6579994

CC(=O)OCc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(Nc1ccc(C(=O)O)cc1)CC3

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL6582239 0.92 GAA (0.32)
SCHEMBL6585914 0.84 TRPM8 (0.30)
SCHEMBL987844 0.78 PARP1 (0.39) BRD4SMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL987842 0.78 PARP1 (0.39) BRD4SMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL6949037 0.78 KDM4E (0.35) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6949031 0.78 KDM4E (0.35) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6582588 0.77 ELANE (0.30)
SCHEMBL6583200 0.77 POLB (0.39) NPC1RAB9ASMN1; SMN2ATMALDH1A1
SCHEMBL13254983 0.76 DHFR (0.38)
SCHEMBL6950342 0.75 KMT2A (0.37) SMN1; SMN2KDM4EHSD17B10LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed