SCHEMBL2851930

SCHEMBL2851930

O=C(NCCc1ccccc1)Oc1cnn(-c2cc(Cl)ccc2Cl)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
GLA P06280 1/20 0.42
P2RX7 Q99572 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2857628 0.91 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2855547 0.87 TAAR1 (0.54) TAAR1GLAP2RX7NPC1RAB9A
SCHEMBL2853253 0.86 KEAP1 (0.42) LMNAL3MBTL1HPGD
SCHEMBL2859861 0.85 TAAR1 (0.51) TAAR1GLASMN1; SMN2KMT2ALMNA
SCHEMBL2852221 0.84 ALDH1A1 (0.46) TAAR1GLANPC1RAB9AGAA
SCHEMBL2856467 0.84 P2RX7 (0.51) GLAP2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL2852539 0.84 LMNA (0.52) GAAKMT2ALMNAMEN1TDP1
SCHEMBL2854509 0.83 KDM4E (0.50) TAAR1GLANPC1RAB9AGAA
SCHEMBL2856260 0.83 TSHR (0.46) SMN1; SMN2LMNACNR1HPGD
SCHEMBL2855603 0.82 P2RX1 (0.44) P2RX7GAALMNAHPGD

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