SCHEMBL10889232

SCHEMBL10889232

C=CCSc1nnc(NC(=O)NC)s1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
ALDH1A1 P00352 6/20 0.58
HPGD P15428 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 0.53
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11540934 0.82 SMN1; SMN2 (0.66) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL11639843 0.80 MAPT (0.55) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL11625570 0.79 TP53 (0.61) MAPTRAB9ANPC1KDM4ETP53
SCHEMBL9720512 0.79 RAB9A (0.67) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL10800511 0.77 RAB9A (0.57) MAPTALDH1A1RAB9ANPC1CYP2C19
SCHEMBL10566898 0.77 RAB9A (0.56) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL13411701 0.74 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1TSHRCYP2C9
SCHEMBL10892136 0.73 ALDH1A1 (0.64) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL7482056 0.72 BLM (0.58) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL28412742 0.72 MAPT (0.57) MAPTALDH1A1HPGDRAB9ANPC1

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
US-4599424-A PRE-AND POSTEMERGENCE RHONE-POULENC, INC. (US) 1986-07-08 US disclosed