SCHEMBL6628802

SCHEMBL6628802

OC1(c2cc3ccccc3[nH]2)CCc2cc(F)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
ITK Q08881 2/20 0.34
CYP3A4 P08684 1/20 0.33
NR3C1 P04150 2/20 0.32
DRD2 P14416 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
DRD3 P35462 1/20 0.31
CXCR5 P32302 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL3062818 0.79 FLT3 (0.44) FLT3CA1CA2CA4CA6
SCHEMBL5362383 0.70 NR3C1 (0.40) FLT3NR3C1NPC1RAB9AHTR2A
SCHEMBL12948668 0.70 FLT3 (0.41) FLT3CA1CA2CA4CA6
SCHEMBL7500375 0.69 HRH4 (0.52) HRH4BRD4
SCHEMBL16010504 0.66 SMYD3 (0.43) FLT3CA2NPC1RAB9AALDH1A1
SCHEMBL6412283 0.66 NR3C1 (0.46) FLT3NR3C1HRH4KDM1AKDM4E
SCHEMBL19289143 0.64 DPP4 (0.43) DRD2HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL6096901 0.62 AOC3 (0.44) FLT3CA1CA2CA4CA6
SCHEMBL11821550 0.62 DRD2 (0.42) DRD2HTR2AHTR2CKCNH2CXCR5
SCHEMBL7866429 0.62 OPRL1 (0.57) CYP3A4HRH4ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088823-B1 Fused pyrrolocarbazoles CEPHALON INC (US) 2004-12-29 EP disclosed
EP-0785938-B1 FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2002-01-02 EP disclosed
EP-1088823-A1 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2001-04-04 EP disclosed
US-5705511-A ENZYME INHIBITORS, ANTIINFLAMMATORY, TROPHIC FACTOR, ANTICANCER CELL GROWTH CEPHALON, INC. (US) 1998-01-06 US disclosed
EP-0785938-A1 FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 1997-07-30 EP disclosed
US-5594009-A KINASE INHIBITORS, TROPHIC FACTOR-INDUCED ACTIVITY ENHANCEMENT, CELL SURVIVAL CEPHALON, INC. (US) 1997-01-14 US disclosed
US-5591855-A KINASE INHIBITORS, TROPHIC FACTOR-INDUCED ACTIVITY ENHANCEMENT, CELL SURVIVAL CEPHALON, INC. (US) 1997-01-07 US disclosed