SCHEMBL7183352

SCHEMBL7183352

CCON(OCC)N(C(N)=S)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8507159 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL8395777 0.79 ALDH1A1 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11673899 0.77 ALDH1A1 (0.65) ALDH1A1MAPTHPGDCYP1A2CYP2C9
SCHEMBL7814236 0.74 ALDH1A1 (0.56) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL145553 0.68 ALDH1A1 (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5510643 0.68 ALDH1A1 (0.44) ALDH1A1MAPTHPGDCYP1A2CYP2C9
SCHEMBL7640156 0.68 ALDH1A1 (0.48) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL8395773 0.68 ALDH1A1 (0.39) ALDH1A1MAPTHPGDCYP1A2CYP2C9
SCHEMBL11386184 0.67 TP53 (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8396605 0.67 ALDH1A1 (0.43) ALDH1A1MAPTHPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083428-A1 Polymer dispersions suitable for reactive systems BAURIEDEL HANS (DE) 2003-05-01 US disclosed
US-20010040008-A1 POLYMER DISPERSIONS SUITABLE FOR REACTIVE SYSTEMS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) 2001-11-15 US disclosed
US-5512655-A Dihydroxyfatty acids as structural elements for polyurethanes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-04-30 US disclosed