SCHEMBL8435109

SCHEMBL8435109

[CH2]C(C)Cc1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TACR1 P25103 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2A6 P11509 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL24252518 0.84 MAPT (0.38) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL5144552 0.81 HTT (0.39) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL16213437 0.78 TACR1 (0.36) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL8438590 0.77 CHRNB2 (0.38) HCAR2CHRNB2CHRNA4
SCHEMBL26614750 0.76 POLB (0.35) HTTMAPTSMN1; SMN2POLBHCAR2
SCHEMBL670394 0.73
SCHEMBL30895742 0.73
SCHEMBL14157337 0.73
SCHEMBL7394006 0.72 TACR1 (0.39) HTTMAPTSMN1; SMN2KDM4ETACR1
SCHEMBL15163928 0.71 HMGCR (0.52)

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-5968947-A INSECTICIDES, ACARICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1999-10-19 US disclosed