SCHEMBL24784608

SCHEMBL24784608

COc1cc(F)cc(-c2ncc(CO)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ GRK6 P43250 1/20 0.38
▸ ALKBH1 Q13686 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CYP1A1 P04798 3/20 0.36
▸ CYP1B1 Q16678 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2E1 P05181 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP4B1 P13584 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ CYP2A7 P20853 1/20 0.36

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
SCHEMBL30103072 0.85 KDM1A (0.40) KDM1ACYP4F2CYP4A11GRK6ALKBH1
SCHEMBL24784603 0.85 KDM1A (0.40) KDM1ACYP4F2CYP4A11GRK6ALKBH1
SCHEMBL30516644 0.81 KDM1A (0.55) KDM1ACYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL25367014 0.81 KDM1A (0.55) KDM1ACYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL30018769 0.78 GRM5 (0.44) KDM1ACYP4F2CYP4A11CYP1A1CYP1B1
SCHEMBL24784637 0.78 GRM5 (0.44) KDM1ACYP4F2CYP4A11CYP1A1CYP1B1
SCHEMBL30103004 0.77 KDM1A (0.41) KDM1ACYP4F2CYP4A11GRK6ALKBH1
SCHEMBL24785334 0.77 KDM1A (0.41) KDM1ACYP4F2CYP4A11GRK6ALKBH1
SCHEMBL24785094 0.77 CLK4 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19DYRK1A
SCHEMBL26784179 0.76 ABL1 (0.49) CYP4F2CYP4A11PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
WO-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 — — CN disclosed
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