SCHEMBL8643554

SCHEMBL8643554

Cc1ccc(C[AsH2])c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNF P01375 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 2/20 0.38

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
SCHEMBL5350848 0.82 PYCR1 (0.46) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL3299248 0.79 PYCR1 (0.47) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL6547406 0.79 TAAR1 (0.48) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL168406 0.77 PYCR1 (0.46) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL10753414 0.76 TAAR1 (0.42) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL1610769 0.75 PYCR1 (0.44) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL16918930 0.75 PYCR1 (0.44) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL608419 0.75 PYCR1 (0.44) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL96044 0.75 TAAR1 (0.50) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL1145816 0.75 PYCR1 (0.44) PYCR1TDP1TP53ALDH1A1KDM4E

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-5750556-A REDUCING DOPAMINE SYNTHESIS AND RELEASE, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed