SCHEMBL19618878

SCHEMBL19618878

CNCCOc1ccc(C(C)C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.52
HTR1B P28222 2/20 0.46
HTR1D P28221 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
NSD2 O96028 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 1/20 0.41
ADRB2 P07550 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL15000540 0.82 CARM1 (0.49) CARM1KDM4ELMNAL3MBTL1
SCHEMBL22857118 0.82 CARM1 (0.46) CARM1HTR1BKDM4ELMNAPDK2
SCHEMBL19618909 0.82 CARM1 (0.52) CARM1KDM4ELMNASMN1; SMN2PDK2
SCHEMBL23067893 0.82 HTR1B (0.53) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL30756577 0.82 HTR1B (0.53) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL19939293 0.81 CARM1 (0.44) CARM1KDM4ELMNAADRB2L3MBTL1
SCHEMBL16997126 0.81 TDP1 (0.50) CARM1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8221290 0.81 CARM1 (0.44) CARM1KDM4ELMNAL3MBTL1
SCHEMBL8226478 0.81 CARM1 (0.44) CARM1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL18295382 0.80 HTR1B (0.52) CARM1HTR1BHTR1DKDM4EALDH1A1

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-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed