SCHEMBL6284534

SCHEMBL6284534

O=C1NCCN1CCCC=S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 5/20 0.39
POLB P06746 4/20 0.39
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6286809 0.93 KMT2A (0.39) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL6284243 0.89 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL10941097 0.83 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL7261352 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL13843636 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL11173610 0.80 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL2118226 0.80 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL148599 0.79 KMT2A (0.63) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL13236669 0.77 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL8554240 0.76 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1POLBRAB9A

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