SCHEMBL8932304

SCHEMBL8932304

Cc1ccnnc1Oc1cc(C(F)(F)F)nn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
KMT2A Q03164 1/20 0.50
TGFBR1 P36897 2/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
RAB9A P51151 3/20 0.33

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
Benzene SCHEMBL6321597 0.74 ADORA2A (0.47) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL5781141 0.73 KMT2A (0.53) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL5781159 0.73 KMT2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL8932297 0.71 KMT2A (0.48) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL7250718 0.71 ADORA2A (0.55) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL7252765 0.71 KMT2A (0.57) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL5778661 0.70 KMT2A (0.53) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL31220438 0.70 ADORA2A (0.48) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6280223 0.70 ADORA2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL8693814 0.69 KMT2A (0.47) ADORA2AADORA1KMT2ATGFBR1ALDH1A1

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-5536701-A 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-07-16 US claimed