SCHEMBL4741376

SCHEMBL4741376

O=c1cc(F)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.60
CYP1A2 P05177 4/20 0.60
KDM4E B2RXH2 9/20 0.59
CTSV O60911 4/20 0.59
CTSL P07711 4/20 0.59
HPGD P15428 7/20 0.56
LMNA P02545 5/20 0.56
HSD17B10 Q99714 3/20 0.56
TUBB4A P04350 1/20 0.56
TP53 P04637 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL30199901 1.00 GAA (0.60) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL6667751 0.75 GAA (0.60) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL7815453 0.75 CYP1A2 (0.60) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL7938807 0.75 CYP1A2 (0.60) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL18995263 0.75 CYP1A2 (0.60) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL10070259 0.75 CYP1A2 (0.60) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL527043 0.75 CYP1A2 (1.00) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL9163258 0.75 CYP1A2 (0.60) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL29976744 0.75 KDM4E (1.00) GAACYP1A2KDM4ECTSVCTSL
SCHEMBL9179305 0.75 KDM4E (1.00) GAACYP1A2KDM4ECTSVCTSL

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
WO-2008096917-A1 REACTIVE ANTIBIOTICS AND ANTIBACTERIAL FIBER TREATED THEREBY KOLON INDUSTRIES, INC (KR) 2008-08-14 WO disclosed
US-6528517-B1 Solid phase synthesis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-03-04 US disclosed