SCHEMBL8042350

SCHEMBL8042350

Cc1nc(Cl)c(NC(=O)C(F)(F)F)c(Nc2ccc(C(C)C)cc2Br)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.36
P2RX7 Q99572 2/20 0.36
CHUK O15111 1/20 0.34
CRHR1 P34998 8/20 0.34
DGAT1 O75907 1/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17027052 0.77 P2RX4 (0.50) P2RX4P2RX7POLBMEN1KMT2A
SCHEMBL6094653 0.77 WDR5 (0.40) CRHR1KMT2A
SCHEMBL5496929 0.72 CRHR1 (0.40) CRHR1POLBMEN1KMT2AMAPT
SCHEMBL5492382 0.70 CRHR1 (0.36) CRHR1
SCHEMBL6291133 0.69 CRHR1 (0.58) CRHR1
SCHEMBL6294463 0.67 CRHR1 (0.61) CRHR1MAPTRAB9A
SCHEMBL6569974 0.66 PDK1 (0.62) P2RX4P2RX7
SCHEMBL17027092 0.66 P2RX4 (0.51) P2RX4P2RX7POLBMEN1KMT2A
SCHEMBL7678044 0.64 MEN1 (0.40) P2RX4P2RX7CRHR1MEN1KMT2A
SCHEMBL3983979 0.64 CA1 (0.55) P2RX4P2RX7POLBMEN1KMT2A

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-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed