SCHEMBL30701997

SCHEMBL30701997

Fc1cc2cncc(N=C(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.35
CYP11B1 P15538 2/20 0.35
GAA P10253 1/20 0.33
KMT2A Q03164 3/20 0.32
AGTR1 P30556 1/20 0.32
OPRK1 P41145 1/20 0.32
RAB9A P51151 1/20 0.32
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
ESR1 P03372 3/20 0.30
ESR2 Q92731 3/20 0.30
ERN1 O75460 1/20 0.30
POLB P06746 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
SCHEMBL27191839 1.00 CYP11B2 (0.35) CYP11B2CYP11B1GAAKMT2AAGTR1
SCHEMBL27191730 0.89 ESR1 (0.36) GAAAGTR1OPRK1RAB9ANPFFR1
SCHEMBL27191763 0.85 AGTR1 (0.40) CYP11B2CYP11B1GAAKMT2AAGTR1
SCHEMBL14658340 0.80 ADRA2A (0.39) CYP11B2CYP11B1GAALMNAESR1
SCHEMBL27191828 0.79 KMT2A (0.35) GAAKMT2AAGTR1OPRK1RAB9A
SCHEMBL27192364 0.78 ALOX15 (0.38) GAAKMT2ARAB9ALMNAHTT
SCHEMBL27192431 0.78 ALDH1A1 (0.36) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL30701989 0.78 ALOX15 (0.38) GAAKMT2ARAB9ALMNAHTT
SCHEMBL30702067 0.78 ALDH1A1 (0.36) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL30702054 0.78 SLC22A12 (0.34) GAA

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
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed