SCHEMBL8329869

SCHEMBL8329869

[CH2]C1CC1c1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.66
HTR2A P28223 5/20 0.56
HTR2C P28335 5/20 0.56
HTR2B P41595 5/20 0.56
HRH3 Q9Y5N1 5/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC4 P56524 1/20 0.38
EPAS1 Q99814 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 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
SCHEMBL8329871 0.79 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL15372957 0.79 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL20187237 0.79 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL15096161 0.79 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BRCOR1
Hydrochloric Acid SCHEMBL16340510 0.78 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BRCOR1
Hydrochloric Acid SCHEMBL17766516 0.78 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL149599 0.73 KDM1A (0.58) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL22335081 0.73 HTR2C (0.68) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL30016116 0.73 KDM1A (0.58) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL29134399 0.73 KDM1A (0.58) KDM1AHTR2AHTR2CHTR2BHRH3

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
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed