SCHEMBL11516149

SCHEMBL11516149

NC(=O)Nc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.64
CTPS1 P17812 5/20 0.56
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
GPR35 Q9HC97 1/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
UBE2N P61088 1/20 0.51
XBP1 P17861 1/20 0.50
KIF11 P52732 1/20 0.49

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
SCHEMBL11517104 0.88 PDE5A (0.62) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL11516869 0.87 PDE5A (0.62) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL11519026 0.87 PDE5A (0.62) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL11517733 0.85 PDE5A (0.56) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL24101686 0.83 PDE5A (0.63) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL11515699 0.83 PDE5A (0.57) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL14069823 0.79 MAPT (0.59) PDE5AALDH1A1MEN1KMT2AMAPT
SCHEMBL11518120 0.76 MAPT (0.50) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL11516872 0.76 MAPT (0.49) PDE5ACTPS1ALDH1A1MEN1KMT2A
SCHEMBL167618 0.75 KIF11 (0.79) ALDH1A1MEN1KMT2AMAPTNPSR1

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-4152329-A 2-ACYLAMINOTHIAZOL-4-YLACETAMIDES AS POST-EMERGENT SELECTIVE HERBICIDES GULF OIL CORPORATION (US) 1979-05-01 US disclosed
US-4120690-A 2-Acylaminothiazol-4-ylacetamides as post-emergent selective herbicides GULF OIL CORPORATION (US) 1978-10-17 US disclosed