SCHEMBL31339902

SCHEMBL31339902

COc1ccc(-n2c(=O)c(C(=O)O)cc3ccc(Br)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
SLC16A3 O15427 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HPGD P15428 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 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
SCHEMBL31339915 0.87 MAPT (0.44) KDM4EAKR1C2ALDH1A1MAPTMEN1
SCHEMBL31339891 0.86 NOTUM (0.50) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL31339843 0.85 SLC16A3 (0.42) KDM4ESLC16A3ALDH1A1MAPTMEN1
SCHEMBL31339896 0.84 NOTUM (0.48) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL31339914 0.84 NOTUM (0.48) ALDH1A1MEN1KMT2APOLBGPR35
SCHEMBL31339878 0.80 SMN1; SMN2 (0.43) KDM4EALDH1A1MAPTMEN1HTT
SCHEMBL31339875 0.77 TGFBR1 (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL19512066 0.74 ALDH1A1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL31339959 0.72 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1RAB9A
SCHEMBL31339811 0.71 NOTUM (0.47) ALDH1A1MEN1KMT2ACA12CA1

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
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed