SCHEMBL21729966

SCHEMBL21729966

Sc1cccc2sncc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.35
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 2/20 0.35
HIPK4 Q8NE63 2/20 0.35
RPS6KB1 P23443 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT4 P35916 1/20 0.33
FRK P42685 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2D Q13557 1/20 0.33
NTRK3 Q16288 1/20 0.33
AURKB Q96GD4 1/20 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
SCHEMBL22969780 0.74 NOS1 (0.39) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL12043521 0.74 CYP1A2 (0.44) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL658519 0.74 NOS1 (0.39) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL11092129 0.74 CSF1R (0.39) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL476813 0.74 CYP1A2 (0.44) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL911600 0.74 KDM4E (0.39) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL8976268 0.74 ALDH1A1 (0.44) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL13913276 0.74 GABRA1 (0.39) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL28086993 0.74 CYP2A6 (0.40) CSF1RFLT1KDRFLT3HIPK4
SCHEMBL21729955 0.69 CSF1R (0.35) CSF1RFLT1KDRFLT3HIPK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020034945-A1 METHOD FOR PREPARING CYCLOHEXANE DERIVATIVE 浙江京新药业股份有限公司 2020-02-20 WO disclosed
WO-2020034946-A1 METHOD FOR PREPARING CYCLOHEXANE DERIVATIVE 浙江京新药业股份有限公司 2020-02-20 WO disclosed