SCHEMBL9855446

SCHEMBL9855446

CCC(C)Sc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
EPHX1 P07099 1/20 0.33
MAOB P27338 1/20 0.32
FPR2 P25090 2/20 0.32

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
SCHEMBL10400659 0.83 MAOA (0.44) MAOAMEN1KMT2ACYP2A6SMN1; SMN2
SCHEMBL27944855 0.80 MAOA (0.44) MAOAMEN1KMT2ARAB9ACYP2A6
SCHEMBL9856484 0.78 ESR1 (0.45) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL9856255 0.78 HTT (0.34) HTT
SCHEMBL12860701 0.78 SLC6A4 (0.39) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL10144008 0.78 TSHR (0.50) MEN1KMT2ARAB9ASMN1; SMN2HTT
SCHEMBL11309197 0.78 MAPK1 (0.42) MAOAMEN1KMT2ARAB9AHTT
SCHEMBL10394300 0.78 SLC6A4 (0.50) MAOARAB9AHTTMAOB
SCHEMBL10473468 0.77 MAOA (0.40) MAOAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1453904 0.77 L3MBTL1 (0.45) MAOAMEN1KMT2ASMN1; SMN2HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed