SCHEMBL7287735

SCHEMBL7287735

CC(C(=O)O)N1C=CCN1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
NOTUM Q6P988 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC1A2 P43004 1/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL28762240 0.72 SIGMAR1 (0.37) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL27651189 0.71 MC4R (0.44) SMN1; SMN2TSHRLMNAPOLB
SCHEMBL28562009 0.68 SIGMAR1 (0.39) SMN1; SMN2TSHRLMNAMEN1KMT2A
Sulfuric Acid SCHEMBL28566708 0.68 MAPK1 (0.43) SMN1; SMN2TSHRLMNANOTUMALDH1A1
Hydrochloric Acid SCHEMBL28555650 0.67 SIGMAR1 (0.38) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL7287729 0.66 KEAP1 (0.41) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL28567336 0.65 SIGMAR1 (0.36) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL17785185 0.63 LMNA (0.43) SMN1; SMN2TSHRLMNANOTUMCYP2D6
Hydrochloric Acid SCHEMBL3156656 0.62 ABL1 (0.56) TSHRMEN1KMT2A
Thiocyanic Acid SCHEMBL28564599 0.62 MEN1 (0.34) SMN1; SMN2TSHRLMNAMEN1KMT2A

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
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed