SCHEMBL30103132

SCHEMBL30103132

COc1cc(F)cc(-c2cnc(CO)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.47
▸ LDHA P00338 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A1 P04798 3/20 0.39
▸ CYP1B1 Q16678 3/20 0.39
▸ LRRK2 Q5S007 3/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ GRK6 P43250 1/20 0.37
▸ FGFR1 P11362 5/20 0.36
▸ FGFR3 P22607 4/20 0.36
▸ KDR P35968 4/20 0.36
▸ FGFR2 P21802 4/20 0.36
▸ FGFR4 P22455 3/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL24785377 1.00 KDM1A (0.47) KDM1ALDHANPC1RAB9ACYP1A1
SCHEMBL24785105 0.86 KDM1A (0.47) KDM1ALDHANPC1RAB9ACYP1A1
SCHEMBL30103165 0.86 KDM1A (0.47) KDM1ALDHANPC1RAB9ACYP1A1
SCHEMBL30516658 0.80 KDM1A (0.41) KDM1ACYP1A1CYP1B1LRRK2GRK6
SCHEMBL25367489 0.80 KDM1A (0.41) KDM1ACYP1A1CYP1B1LRRK2GRK6
SCHEMBL25367014 0.79 KDM1A (0.55) KDM1ALDHANPC1RAB9ACYP1A1
SCHEMBL30516644 0.79 KDM1A (0.55) KDM1ALDHANPC1RAB9ACYP1A1
SCHEMBL24785334 0.75 KDM1A (0.41) KDM1ALDHACYP1A1CYP1B1LRRK2
SCHEMBL30103004 0.75 KDM1A (0.41) KDM1ALDHACYP1A1CYP1B1LRRK2
SCHEMBL24784608 0.74 KDM1A (0.40) KDM1ALDHACYP1A1CYP1B1LRRK2

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
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
Send feedback