SCHEMBL6285538

SCHEMBL6285538

CCNCCCN1CCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 3/20 0.37
CREBBP Q92793 1/20 0.36
CYP2C19 P33261 3/20 0.35
GLA P06280 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6287265 0.95 KMT2A (0.43) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6286733 0.93 KMT2A (0.42) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6284635 0.89 KMT2A (0.49) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6285329 0.88 KMT2A (0.49) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6283934 0.88 KMT2A (0.39) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL14426104 0.84 KMT2A (0.41) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6290125 0.83 KMT2A (0.47) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6287263 0.82 KMT2A (0.46) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6287661 0.82 KMT2A (0.46) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL6289546 0.81 KMT2A (0.46) KMT2ARAB9AMEN1ALDH1A1KDM4E

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-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
US-4088500-A AMIDE-ENDCAPPED HYDROPHILIC ALKYLENE OXIDE PREPOLYMER, ACID ACTIVATED CROSSLINKING AGENT WATER, FILLER, CATALYST MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-05-09 US disclosed