SCHEMBL9770531

SCHEMBL9770531

CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.49
POLQ O75417 3/20 0.45
NR1H2 P55055 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MLYCD O95822 3/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TACR1 P25103 2/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16296475 0.83 MLYCD (0.48) NR1H3POLQNR1H2KMT2ASMN1; SMN2
SCHEMBL2903315 0.83 SMN1; SMN2 (0.38) NR1H3POLQNR1H2SMN1; SMN2MLYCD
SCHEMBL4746141 0.81 KMT2A (0.51) NR1H3POLQNR1H2KMT2AMEN1
SCHEMBL5418517 0.79 POLQ (0.49) NR1H3POLQNR1H2KMT2AMEN1
SCHEMBL16883807 0.78 SMN1; SMN2 (0.41) NR1H3NR1H2SMN1; SMN2MLYCDKDM4E
SCHEMBL13830840 0.78 POLQ (0.47) NR1H3POLQNR1H2KMT2AMEN1
SCHEMBL28846030 0.76 POLQ (0.46) NR1H3POLQNR1H2KMT2AMEN1
SCHEMBL23060401 0.76 RIPK1 (0.35) SMN1; SMN2TACR1
SCHEMBL12160733 0.76 NR1H3 (0.50) NR1H3POLQNR1H2KMT2AMEN1
SCHEMBL26626027 0.76 ATF1 (0.45) POLQKMT2AMEN1SMN1; SMN2TACR1

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-5051330-A For image development EASTMAN KODAK COMPANY (US) 1991-09-24 US disclosed