SCHEMBL9679529

SCHEMBL9679529

Cc1ccc(Sc2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.72
MAPK1 P28482 3/20 0.72
ALDH1A1 P00352 3/20 0.72
TSHR P16473 2/20 0.72
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
FKBP1A P62942 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 4/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MGLL Q99685 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.41
CYP2C19 P33261 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPT P10636 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
SCHEMBL10884364 0.94 ALDH1A1 (0.81) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL10889886 0.94 ALDH1A1 (0.81) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL701448 0.91 MAPK1 (0.70) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL28995353 0.90 SMN1; SMN2 (0.89) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL1553588 0.89 ALDH1A1 (0.72) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL1554443 0.89 ALDH1A1 (0.72) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL18883201 0.89 ALDH1A1 (0.72) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL1554157 0.89 ALDH1A1 (0.72) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL8176787 0.88 ALDH1A1 (0.71) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A
SCHEMBL10886640 0.85 ALDH1A1 (0.81) SMN1; SMN2MAPK1ALDH1A1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed