SCHEMBL23657201

SCHEMBL23657201

CC1CCc2[nH]c3ccc(Cl)cc3c2C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.60
SIRT1 Q96EB6 2/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
BAZ2B Q9UIF8 2/20 0.49
RAB9A P51151 1/20 0.48
HTR1B P28222 3/20 0.48
HTR1D P28221 2/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
MCHR1 Q99705 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL11576749 0.84 KMT2A (0.65) KMT2AMEN1LMNAALDH1A1BAZ2B
SCHEMBL6529421 0.82 HTR1B (0.65) KMT2ASIRT1LMNABAZ2BHTR1B
SCHEMBL6529419 0.82 HTR1B (0.65) KMT2ASIRT1LMNABAZ2BHTR1B
SCHEMBL7409510 0.82 SIRT1 (0.55) KMT2AMEN1SIRT1LMNABAZ2B
SCHEMBL2187935 0.82 KMT2A (0.64) KMT2AMEN1SIRT1LMNAALDH1A1
SCHEMBL13478770 0.82 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1BAZ2B
SCHEMBL13478760 0.82 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1RAB9A
SCHEMBL13478800 0.82 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1BAZ2B
SCHEMBL7417626 0.82 HTR1F (0.55) KMT2ASIRT1LMNABAZ2BHTR1B
SCHEMBL28834665 0.82 HTR1B (0.65) KMT2AMEN1SIRT1BAZ2BHTR1B

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-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed