SCHEMBL25783124

SCHEMBL25783124

CCC(C)N(C(=O)c1cc(F)ccc1OC)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL25783139 0.96 TSHR (0.47) PIN1TSHRSLC6A2SLC6A4KDM4E
SCHEMBL25783129 0.88 PIN1 (0.46) PIN1TSHRSLC6A2SLC6A4KDM4E
SCHEMBL25783145 0.84 PIN1 (0.46) PIN1TSHRSLC6A2SLC6A4KDM4E
SCHEMBL25598466 0.83 KDM4E (0.43) PIN1TSHRSLC6A2SLC6A4KDM4E
SCHEMBL25783173 0.81 PIN1 (0.41) PIN1TSHRKDM4EMEN1ALDH1A1
SCHEMBL25598182 0.80 KDM4E (0.43) PIN1TSHRKDM4EMEN1ALDH1A1
SCHEMBL25783220 0.80 TSHR (0.65) PIN1TSHRSLC6A2SLC6A4KDM4E
SCHEMBL25783089 0.79 PIN1 (0.50) PIN1TSHRSLC6A2SLC6A4KDM4E
SCHEMBL19694905 0.76 PIN1 (0.46) PIN1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29519632 0.76 PIN1 (0.46) PIN1KDM4EMEN1KMT2ASMN1; SMN2

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
WO-2023125928-A1 MENIN INHIBITOR AND USE THEREOF 成都先导药物开发股份有限公司 2023-07-06 WO disclosed