SCHEMBL11841900

SCHEMBL11841900

O=C(O)C(Cl)c1ccc(-c2ccccc2I)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ PTGS1 P23219 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ AKR1C3 P42330 3/20 0.39
▸ AKR1C2 P52895 3/20 0.39
▸ FABP2 P12104 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL11844907 0.81 HPGD (0.53) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11788735 0.81 CYP2A6 (0.53) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11838674 0.81 PTGS2 (0.41) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11838931 0.81 LMNA (0.57) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11793687 0.80 ALDH1A1 (0.52) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11846562 0.80 PPARG (0.49) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11847394 0.80 ALDH1A1 (0.52) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11842067 0.80 AKR1C3 (0.53) PTGS2KMT2APTGS1MEN1AKR1C3
SCHEMBL11839188 0.80 PTGS2 (0.59) PTGS2PTGS1TSHRLMNACYP1A2
SCHEMBL11846829 0.79 MEN1 (0.38) KMT2AMEN1TSHRLMNACYP1A2

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
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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