SCHEMBL7380890

SCHEMBL7380890

Cc1cc(NC(=N)Nc2cccc3ccccc23)ccc1Br.N=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.49
TRPV1 Q8NER1 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPY5R Q15761 1/20 0.44
KDR P35968 1/20 0.43
GRIK1 P39086 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6720858 0.89 RAB9A (0.52) MEN1KMT2AMAPTNPC1NFKB1
SCHEMBL6724361 0.88 RXFP1 (0.60) RXFP1TRPV1MEN1KMT2AMAPT
SCHEMBL6716936 0.81 TAS2R14 (0.48) RXFP1TRPV1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7203936 0.79 TAS2R14 (0.47) RXFP1TRPV1MEN1KMT2AMAPT
SCHEMBL6716918 0.78 TRPV1 (0.49) RXFP1TRPV1MEN1KMT2AMAPT
SCHEMBL7167697 0.78 GRIK1 (0.52) RXFP1TRPV1MEN1KMT2AMAPT
SCHEMBL6716960 0.77 KMT2A (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6728898 0.76 GRIK1 (0.58) RXFP1TRPV1MEN1KMT2AMAPT
SCHEMBL7378805 0.76 RXFP1 (0.48) RXFP1TRPV1MEN1KMT2ANPY5R
SCHEMBL2288364 0.74 MAPT (0.64) MEN1KMT2AMAPTRAB9AKDR

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-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed