SCHEMBL9009802

SCHEMBL9009802

N#Cc1c(F)ncnc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
LRRK2 Q5S007 2/20 0.33
EGLN2 Q96KS0 2/20 0.32
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP4K4 O95819 1/20 0.30
GRM5 P41594 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
SCHEMBL30751788 0.72 PIK3CG (0.38) LRRK2DYRK1AKDM4EALDH1A1L3MBTL1
SCHEMBL6486674 0.70 TRPV4 (0.37) TRPV4
SCHEMBL6029056 0.70 SMN1; SMN2 (0.38) TRPV4EGLN2KDM4EALDH1A1GAA
SCHEMBL7608827 0.69 TRPV4 (0.33) TRPV4KDM4EALDH1A1
SCHEMBL1997754 0.69 LRRK2 (0.34) LRRK2DYRK1AKDM4EALDH1A1GAA
SCHEMBL27158634 0.67 SMN1; SMN2 (0.40) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL2237565 0.67 SMN1; SMN2 (0.36) EGLN2KDM4EALDH1A1GAALMNA
SCHEMBL20836128 0.67 CYP11B2 (0.41) LRRK2EGLN2KDM4EALDH1A1GAA
SCHEMBL890661 0.67 LRRK2 (0.50) LRRK2DYRK1AKDM4EALDH1A1GAA
SCHEMBL8165803 0.67 TRPV4 (0.32) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502173-A Process for the preparation of a substituted 2-amino-1-sulphonaphthalene BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0494456-A1 Improved process for the preparation of a substituted 2-amino-1-sulfonaphthaline BAYER AG (DE) 1992-07-15 EP disclosed
EP-0321784-B1 FORMAZANE DYES CONTAINING HEAVY METALS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS BAYER AG (DE) 1992-03-18 EP disclosed
EP-0203505-B1 DISAZO METAL COMPLEX DYES BAYER AG (DE) 1989-05-24 EP disclosed
EP-0186812-B1 REACTIVE DYES BAYER AG (DE) 1989-01-25 EP disclosed
EP-0192067-B1 DISAZO DYES BAYER AG (DE) 1988-06-01 EP disclosed
EP-0158882-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1987-12-16 EP disclosed
EP-0235729-A2 Reactive dyes BAYER AG (DE) 1987-09-09 EP disclosed
EP-0203505-A1 Disazo metal complex dyes BAYER AG (DE) 1986-12-03 EP disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0192067-A1 Disazo dyes BAYER AG (DE) 1986-08-27 EP disclosed
EP-0186812-A2 Reactive dyes BAYER AG (DE) 1986-07-09 EP disclosed
EP-0158882-A2 Triphenedioxazine dyes BAYER AG (DE) 1985-10-23 EP disclosed
EP-0128316-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 EP disclosed
EP-0128340-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 EP disclosed
US-4007164-A FIBER-REACTIVE, CELLULOSE, WOOL BAYER AKTIENGESELLSCHAFT (DT) 1977-02-08 US disclosed