SCHEMBL7670871

SCHEMBL7670871

CNNc1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
IDO1 P14902 1/20 0.37
SIGMAR1 Q99720 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
CNR1 P21554 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CTSD P07339 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
APEX1 P27695 1/20 0.30
PMP22 Q01453 1/20 0.30
GSK3B P49841 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL2540113 0.77
SCHEMBL1702141 0.74 MAPT (0.48) CA1CA2CYP1A2CYP2D6ALDH1A1
SCHEMBL19104218 0.74 GAA (0.48) CA1CA2IDO1CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL28442749 0.74 APP (0.55) APPCA1CA2IDO1CA12
SCHEMBL1758402 0.72 ALDH1A1 (0.46) CA1CA2IDO1CA12CA9
SCHEMBL2087066 0.72 CA1 (0.39) APPCA1CA2IDO1SIGMAR1
Hydrochloric Acid SCHEMBL1408051 0.72 MAPT (0.46) CA1CA2CYP1A2CYP2D6ALDH1A1
SCHEMBL10495949 0.72 ALDH1A1 (0.50) APPCA1CA2SIGMAR1CA12
SCHEMBL31212784 0.72 ALDH1A1 (0.67) APPCA1CA2IDO1CYP1A2
SCHEMBL680309 0.72 ACHE (0.41) IDO1CYP1A2ALDH1A1TDP1

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
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed