SCHEMBL30103063

SCHEMBL30103063

COc1cc(-c2ccc(CO)cn2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.55
▸ FYN P06241 8/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ROCK2 O75116 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL30103043 1.00 KDM1A (0.55) KDM1AFYNNPC1RAB9ATP53
SCHEMBL24785040 1.00 KDM1A (0.55) KDM1AFYNNPC1RAB9ATP53
SCHEMBL30103064 0.89 CYP17A1 (0.50) KDM1AFYNNPC1RAB9ATP53
SCHEMBL30103103 0.86 KDM1A (0.55) KDM1AFYNNPC1RAB9ATP53
SCHEMBL24785043 0.86 KDM1A (0.55) KDM1AFYNNPC1RAB9ATP53
SCHEMBL24785075 0.83 FYN (0.47) KDM1AFYNNPC1RAB9ACYP4F2
SCHEMBL8382053 0.82 CYP11B1 (0.57) KDM1AFYNNPC1RAB9ATP53
SCHEMBL4116531 0.81 BRAF (0.49) FYNNPC1RAB9APOLB
SCHEMBL24785829 0.81 KDM1A (0.49) KDM1AFYNROCK2
SCHEMBL30103087 0.81 KDM1A (0.49) KDM1AFYNROCK2

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
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