SCHEMBL7956602

SCHEMBL7956602

CC(C)C(C#N)(CCCN(C)Cc1ccccc1)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
EBP Q15125 3/20 0.58
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 5/20 0.41
ABCB1 P08183 5/20 0.41
ABCC1 P33527 3/20 0.41
KCNH2 Q12809 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C19 P33261 2/20 0.41
ABCB11 O95342 2/20 0.41
CACNA1F O60840 2/20 0.41

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
SCHEMBL7956313 0.90 SIGMAR1 (0.73) SIGMAR1EBPL3MBTL1SMN1; SMN2CYP3A4
SCHEMBL7972440 0.88 SIGMAR1 (0.58) SIGMAR1EBPCARM1PRMT6PRMT8
SCHEMBL7965872 0.88 SIGMAR1 (0.58) SIGMAR1EBPCARM1PRMT6PRMT8
SCHEMBL7956207 0.87 SIGMAR1 (0.48) SIGMAR1EBPCARM1PRMT6PRMT8
SCHEMBL7966884 0.86 EBP (0.47) SIGMAR1EBPCARM1PRMT6PRMT8
SCHEMBL7971746 0.86 EBP (0.47) SIGMAR1EBPL3MBTL1KDM4EKCNH2
SCHEMBL7971822 0.86 SIGMAR1 (0.58) SIGMAR1EBPCARM1PRMT6PRMT8
SCHEMBL7956306 0.86 SIGMAR1 (0.58) SIGMAR1EBPCARM1PRMT6PRMT8
SCHEMBL7971448 0.84 SIGMAR1 (0.56) SIGMAR1EBPCARM1PRMT6PRMT8
SCHEMBL7966798 0.84 SIGMAR1 (0.67) SIGMAR1EBPCARM1PRMT6PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 US claimed
US-5451604-A Useful in organ transplant surgery G. D. SEARLE & CO. (US) 1995-09-19 US claimed
US-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 US disclosed
US-5451604-A Useful in organ transplant surgery G. D. SEARLE & CO. (US) 1995-09-19 US disclosed