SCHEMBL31056166

SCHEMBL31056166

C=Cc1cc(OCc2ccccc2)c(C2OCCO2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
SIRT1 Q96EB6 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 3/20 0.38
CCR5 P51681 2/20 0.38
SLC6A4 P31645 2/20 0.37
HTR2B P41595 1/20 0.36
KDM1A O60341 2/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 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
SCHEMBL31056247 0.82 FOLH1 (0.43) SIRT1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31056681 0.82 HTR2C (0.44) HTR2CHTR2ASIRT1SMN1; SMN2RAB9A
SCHEMBL31056082 0.81 KDM1A (0.45) HTR2CHTR2ASIRT1SMN1; SMN2RAB9A
SCHEMBL31056266 0.81 HTR2C (0.46) HTR2CHTR2ASIRT1SMN1; SMN2RAB9A
SCHEMBL8408319 0.78 SLC6A4 (0.52) HTR2CSMN1; SMN2RAB9APTPN1CCR5
SCHEMBL23700093 0.78 HTR2C (0.47) HTR2CHTR2ASIRT1SMN1; SMN2RAB9A
SCHEMBL589281 0.78 HTR2C (0.50) HTR2CHTR2ASIRT1SMN1; SMN2RAB9A
SCHEMBL31562268 0.76 MAPT (0.45) HTR2CSLC6A4HTR2BKDM1AHTR1A
SCHEMBL23700129 0.76 HTR2C (0.48) HTR2CHTR2ASIRT1SMN1; SMN2RAB9A
SCHEMBL27756953 0.76 HTR2C (0.46) HTR2CHTR2ASIRT1SMN1; SMN2RAB9A

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed