Sugi Predict

Sugi Predict / Compounds / SCHEMBL3344843

SCHEMBL3344843

SCHEMBL3344843

CC(NCc1ccccn1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PIP4K2C Q8TBX8 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CXCR4 P61073 1/20 0.44
▸ KRAS P01116 1/20 0.43
▸ SOS1 Q07889 1/20 0.43

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
SCHEMBL2458912 1.00 CASR (0.53) CASRSMN1; SMN2MAPTPIP4K2CALDH1A1
SCHEMBL2463587 0.83 CASR (0.53) CASRSMN1; SMN2
SCHEMBL3962711 0.81 HTR5A (0.55) CASRALDH1A1KRASSOS1
SCHEMBL8199702 0.81 HTR5A (0.55) CASRALDH1A1KRASSOS1
SCHEMBL13975633 0.81 ADRB2 (0.62) SMN1; SMN2MAPTPIP4K2CALDH1A1
SCHEMBL3351035 0.79 CASR (0.52) CASR
SCHEMBL2458925 0.79 CASR (0.52) CASR
SCHEMBL2462515 0.78 CASR (0.54) CASR
SCHEMBL3345937 0.78 CASR (0.54) CASR
SCHEMBL16225220 0.78 KDM4E (0.52) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 — — WO claimed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 — — WO disclosed