SCHEMBL7434334

SCHEMBL7434334

Cc1csc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
AIMP2 Q13155 1/20 0.38
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7446182 0.91 CCR2 (0.40) CCR2LMNANPSR1MAPK1ALDH1A1
SCHEMBL7440732 0.90 MAPT (0.38) LMNAMAPTSMN1; SMN2NPSR1POLB
SCHEMBL7445153 0.88 MAPT (0.36) LMNAMAPTSMN1; SMN2NPSR1POLB
SCHEMBL11000014 0.87 POLB (0.42) LMNAMAPTSMN1; SMN2NPSR1POLB
SCHEMBL7447128 0.86 RAB9A (0.52) LMNAMAPTSMN1; SMN2NPSR1POLB
SCHEMBL7435451 0.86 RAB9A (0.51) LMNAMAPTSMN1; SMN2NPSR1POLB
SCHEMBL7437033 0.85 LMNA (0.37) LMNAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL7433767 0.85 DRD4 (0.53) RAB9AALDH1A1
SCHEMBL7436396 0.84 AIMP2 (0.42) LMNAMAPTSMN1; SMN2NPSR1POLB
SCHEMBL7436669 0.84 ALDH1A1 (0.52) LMNAMAPTSMN1; SMN2NPSR1POLB

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US claimed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed