SCHEMBL2853277

SCHEMBL2853277

COc1cccc(CNC(=O)Oc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.50
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
SMO Q99835 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
KLKB1 P03952 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
SCHEMBL2856797 0.92 P2RX7 (0.45) CCR1P2RX7SMO
SCHEMBL2852556 0.91 TDP1 (0.44) CCR1MEN1POLBKMT2ATP53
SCHEMBL2850550 0.89 CCR1 (0.54) CCR1P2RX7SMO
SCHEMBL2860466 0.89 RCE1 (0.47) CCR1MEN1POLBKMT2AP2RX7
SCHEMBL2853351 0.88 CCR1 (0.62) CCR1P2RX7
SCHEMBL2854330 0.87 CCR1 (0.52) CCR1POLB
SCHEMBL2857457 0.87 CCR1 (0.49) CCR1P2RX7SMO
SCHEMBL2854804 0.86 MAPK1 (0.48) CCR1POLBSMN1; SMN2P2RX7TP53
SCHEMBL2855708 0.86 P2RX7 (0.44) CCR1POLBSMN1; SMN2P2RX7LMNA
SCHEMBL2852520 0.86 TP53 (0.47) MEN1POLBKMT2ASMN1; SMN2TP53

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed