SCHEMBL6285500

SCHEMBL6285500

O=C1NCCN1CCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
FAAH O00519 1/20 0.37
NAAA Q02083 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PER2 O15055 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
SCHEMBL6286817 0.98 KMT2A (0.41) KMT2ARAB9AALDH1A1POLBRET
SCHEMBL1446118 0.92 KMT2A (0.42) KMT2ARAB9AALDH1A1POLBRET
SCHEMBL11173610 0.90 ALDH1A1 (0.46) KMT2ARAB9AALDH1A1POLBRET
SCHEMBL2118226 0.90 ALDH1A1 (0.46) KMT2ARAB9AALDH1A1POLBRET
SCHEMBL7261352 0.88 ALDH1A1 (0.47) KMT2ARAB9AALDH1A1POLBRET
SCHEMBL17599185 0.87 SMN1; SMN2 (0.42) KMT2ARAB9AALDH1A1RETKDR
SCHEMBL29237863 0.84 ALDH1A1 (0.44) KMT2ARAB9AALDH1A1POLBRET
SCHEMBL93985 0.84
SCHEMBL13843636 0.83 ALDH1A1 (0.47) KMT2ARAB9AALDH1A1POLBRET
SCHEMBL6286988 0.82 KMT2A (0.37) KMT2ARAB9AALDH1A1POLBRET

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