SCHEMBL9869238

SCHEMBL9869238

O=c1c(-c2ccccc2)coc2ncc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PRKCG P05129 1/20 0.47
INSR P06213 1/20 0.47
CDK1 P06493 1/20 0.47
FES P07332 1/20 0.47
IGF1R P08069 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
PHKG2 P15735 1/20 0.47
FER P16591 1/20 0.47
FLT1 P17948 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL9869472 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL27839334 0.75 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL19180558 0.74 IDO1 (0.40) AURKAJAK2PRKD3MAP4K4IGF1R
SCHEMBL28792827 0.74 PTPN1 (0.54) CSNK2A1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19196720 0.74 IDO1 (0.37) ALDH1A1POLBKMT2AGSK3BIDO1
SCHEMBL20240784 0.70 GABRP (0.58) NTRK2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27924239 0.67 ALOX15 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoflavone SCHEMBL8028 0.66 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoflavone SCHEMBL31264756 0.66 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoflavone SCHEMBL6290885 0.66 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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
US-5034531-A Viricides SCHERING CORPORATION (US) 1991-07-23 US claimed
US-5034531-A Viricides SCHERING CORPORATION (US) 1991-07-23 US disclosed