SCHEMBL9729720

SCHEMBL9729720

COCON=C(c1ccc(F)cc1Cl)C(C)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.34
POLB P06746 2/20 0.34
JAK2 O60674 1/20 0.34
RORC P51449 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
NAMPT P43490 2/20 0.33
RAB9A P51151 2/20 0.32
SGMS2 Q8NHU3 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 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
SCHEMBL9729380 0.90 RAB9A (0.42) POLBKMT2ARAB9ANPC1ALDH1A1
SCHEMBL9730614 0.71 KMT2A (0.43) KMT2ARAB9ANPC1ALDH1A1NFKB1
SCHEMBL9730768 0.69 RORC (0.41) P2RX7POLBJAK2RORCKMT2A
SCHEMBL9729554 0.68 IDO1 (0.42) P2RX7POLBRORCKMT2ANAMPT
SCHEMBL7269217 0.66 POLB (0.47) POLBKMT2AALDH1A1
SCHEMBL9730198 0.64 IDO1 (0.37) P2RX7POLBRORCKMT2ANAMPT
SCHEMBL9729505 0.63 KMT2A (0.47) KMT2ARAB9ANPC1ALDH1A1NFKB1
SCHEMBL9729153 0.63 IDO1 (0.39) P2RX7POLBRORCKMT2ANAMPT
SCHEMBL884676 0.63 KCNA5 (0.57) POLBCNR1CNR2
SCHEMBL9853671 0.62 CYP19A1 (0.40) POLBRAB9ANPC1ALDH1A1NFKB1

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed