SCHEMBL6284243

SCHEMBL6284243

O=C1NCCN1CCC=S

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
POLB P06746 4/20 0.41
KMT2A Q03164 4/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 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
SCHEMBL6284534 0.89 KMT2A (0.44) ALDH1A1POLBKMT2ARAB9AKDM4E
SCHEMBL6286809 0.85 KMT2A (0.39) ALDH1A1POLBKMT2ARAB9AKDM4E
SCHEMBL13236669 0.80 ALDH1A1 (0.50) ALDH1A1POLBKMT2ARAB9AKDM4E
SCHEMBL6285083 0.79
SCHEMBL1139752 0.79
SCHEMBL13913471 0.77 ALDH1A1 (0.47) ALDH1A1POLBKMT2ARAB9AKDM4E
SCHEMBL13843636 0.76 ALDH1A1 (0.47) ALDH1A1POLBKMT2ARAB9AKDM4E
SCHEMBL7261352 0.76 ALDH1A1 (0.47) ALDH1A1POLBKMT2ARAB9AKDM4E
SCHEMBL10941097 0.74 KMT2A (0.42) ALDH1A1POLBKMT2ARAB9AKDM4E
SCHEMBL2118226 0.74 ALDH1A1 (0.46) ALDH1A1POLBKMT2ARAB9AKDM4E

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-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed