SCHEMBL11802152

SCHEMBL11802152

Cc1ccc(F)cc1NBr

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.37
ESR1 P03372 1/20 0.37
CLCN2 P51788 1/20 0.36
TSHR P16473 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
SCHEMBL30187201 1.00 MAPT (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8064140 0.82 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL9230966 0.79 MAPT (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL20119833 0.77 MAPT (0.45) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL6886 0.77 MAPT (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL15478544 0.77 RAPGEF4 (0.50) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL27614646 0.76 CA3 (0.42) MAPTALDH1A1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL837448 0.76 MAPT (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL20620435 0.74 MAPT (0.40) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8943130 0.74 MEN1 (0.42) MAPTALDH1A1MEN1KMT2AHTT

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-3954852-A Indenylacetic acid compounds MERCK & CO., INC. (US) 1976-05-04 US disclosed