SCHEMBL22717152

SCHEMBL22717152

Ic1cc(-c2ccccc2)cc2c(I)cc(-c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
AXL P30530 1/20 0.37
CDK8 P49336 1/20 0.37
TNIK Q9UKE5 1/20 0.37
MAOA P21397 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 1/20 0.36
MMP3 P08254 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ALOX5 P09917 1/20 0.36
MIF P14174 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL25599072 0.89 DYRK1A (0.38) ALDH1A1CRHBPCRHR2AXLCDK8
SCHEMBL20623173 0.83 ESR1 (0.47) CYP1A2CYP3A4ALOX5BACE1
SCHEMBL19250892 0.81 HTR6 (0.45) ALDH1A1HSP90AA1CYP1A2HSD17B10KDM4E
SCHEMBL24729298 0.81 ALDH1A1 (0.50) ALDH1A1CRHBPCRHR2MAOAMAPK1
SCHEMBL10018881 0.80 ALDH1A1 (0.38) ALDH1A1CRHBPCRHR2AXLCDK8
SCHEMBL29281796 0.80 ESR1 (0.39) ALDH1A1CYP1A2HSD17B10KDM4ESMN1; SMN2
SCHEMBL16442660 0.80 DYRK1A (0.41) ALDH1A1CRHBPCRHR2AXLCDK8
SCHEMBL7929549 0.77 CRHBP (0.54) ALDH1A1CRHBPCRHR2HSP90AA1HSD17B10
SCHEMBL28319260 0.77 CRHBP (0.48) ALDH1A1CRHBPCRHR2MAOAMAPK1
SCHEMBL15678557 0.77 L3MBTL1 (0.42) ALDH1A1CRHBPCRHR2AXLCDK8

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-20220282029-A1 LOW BAND GAP GRAPHENE NANORIBBON ELECTRONIC DEVICES U.S. DEPARTMENT OF ENERGY 2022-09-08 US disclosed
WO-2020243435-A2 LOW BAND GAP GRAPHENE NANORIBBON ELECTRONIC DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-03 WO disclosed