SCHEMBL6285153

SCHEMBL6285153

CCNCCCNC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GLA P06280 1/20 0.52
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.44
KDM1A O60341 5/20 0.43
SAT1 P21673 3/20 0.42
PAOX Q6QHF9 1/20 0.42
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EPHX1 P07099 2/20 0.37

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
SCHEMBL6285355 0.95 CYP2C19 (0.50) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6289668 0.93 CYP2C19 (0.48) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL7401532 0.88 CYP2C19 (0.44) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6290119 0.86 SAT1 (0.42) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6287095 0.86
SCHEMBL20031214 0.85 CA3 (0.48) KDM1APAOXCA12CA2CA3
SCHEMBL22113740 0.84 PAOX (0.61) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6286823 0.84 PAOX (0.50) TSHRPAOXEPHX1
SCHEMBL1309431 0.83 TDP1 (0.42) MEN1KMT2ACYP1A2TSHRPAOX
SCHEMBL7766501 0.80 PAOX (0.48) CYP2C19MEN1KMT2ACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3108886-B1 CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS SYNTARGA BV (NL) 2020-06-17 EP disclosed
US-10023681-B2 Delay action catalyst for improving the stability of polyurethane systems having halogen containing blowing agents EVONIK DEGUSSA GMBH (DE) 2018-07-17 US disclosed
US-20160075817-A1 Low Emissions Polyurethane Foam Made with Isocyanate Reactive Amine Catalyst AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-03-17 US disclosed
US-20140113984-A1 Delay Action Catalyst for Improving The Stability of Polyurethane Systems Having Halogen Containing Blowing Agents EVONIK OPERATIONS GMBH (DE) 2014-04-24 US disclosed
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