SCHEMBL17923476

SCHEMBL17923476

NCc1ccnc(-c2cc(C(=O)O)ccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.72
KDM4E B2RXH2 5/20 0.60
KDM5C P41229 7/20 0.58
KDM4A O75164 6/20 0.58
KDM4C Q9H3R0 6/20 0.58
KDM2A Q9Y2K7 4/20 0.58
KDM3A Q9Y4C1 4/20 0.58
KDM6B O15054 3/20 0.58
P4HA1 P13674 1/20 0.57
KDM5B Q9UGL1 7/20 0.55
KDM4B O94953 3/20 0.55
JMJD6 Q6NYC1 1/20 0.53
KDM5A P29375 4/20 0.52
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51

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
SCHEMBL18069362 0.86 LOXL2 (0.76) LOXL2KDM4EKDM5CKDM4AKDM4C
SCHEMBL18049147 0.84 LOXL2 (1.00) LOXL2KDM4EP4HA1KMO
SCHEMBL70700 0.84 KDM4C (0.78) KDM4EKDM5CKDM4AKDM4CKDM2A
SCHEMBL29407015 0.84 KDM4C (0.78) KDM4EKDM5CKDM4AKDM4CKDM2A
SCHEMBL25220048 0.82 KDM4C (0.75) KDM4EKDM5CKDM4AKDM4CKDM2A
SCHEMBL7034221 0.82 KDM4C (0.75) KDM4EKDM5CKDM4AKDM4CKDM2A
SCHEMBL25221788 0.82 KDM4C (0.75) KDM4EKDM5CKDM4AKDM4CKDM2A
SCHEMBL5670010 0.82 KDM4C (0.75) KDM4EKDM5CKDM4AKDM4CKDM2A
SCHEMBL9626459 0.82 KDM4C (0.75) KDM4EKDM5CKDM4AKDM4CKDM2A
Hydrochloric Acid SCHEMBL4802267 0.82 KDM4C (0.75) KDM4EKDM5CKDM4AKDM4CKDM2A

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-2300033-B1 COLLAGEN PEPTIDE CONJUGATES AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2016-07-20 EP disclosed