SCHEMBL24852497

SCHEMBL24852497

Cc1noc(C(C)C)c1-c1nnc(Cc2cc3ccccc3[nH]c2=O)o1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.40
▸ IL4I1 Q96RQ9 4/20 0.40
▸ GUSB P08236 3/20 0.39
▸ TSHR P16473 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ APLNR P35414 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL24852506 0.79 KDM4E (0.46) KDM4EIL4I1GUSBHSD17B10CYP1A2
SCHEMBL24852502 0.79 KDM4E (0.45) KDM4EIL4I1TSHRHSD17B10CYP1A2
SCHEMBL24851999 0.77 GUSB (0.56) KDM4EIL4I1GUSBHSD17B10CYP1A2
SCHEMBL24852000 0.77 EGFR (0.55) IL4I1GUSBTSHRHSD17B10ALDH1A1
SCHEMBL24852507 0.77 IL4I1 (0.51) KDM4EIL4I1TSHRHSD17B10CYP1A2
SCHEMBL24852045 0.76 IL4I1 (0.43) KDM4EIL4I1GUSBHSD17B10CYP1A2
SCHEMBL24851907 0.76 GUSB (0.47) KDM4EIL4I1GUSBHSD17B10CYP1A2
SCHEMBL24852499 0.76 IL4I1 (0.44) KDM4EIL4I1TSHRHSD17B10CYP1A2
SCHEMBL24851962 0.74 IL4I1 (0.51) KDM4EIL4I1TSHRHSD17B10CYP1A2
SCHEMBL24852005 0.74 GUSB (0.47) IL4I1GUSBTSHRHSD17B10

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
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
Send feedback