SCHEMBL16632998

SCHEMBL16632998

Nc1ccc(C2(c3ccc(N)cc3)c3[c]cccc3-c3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
OPRK1 P41145 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 2/20 0.41
PDK2 Q15119 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL796811 0.86 MEN1 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL16652935 0.84 MEN1 (0.43) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL20530166 0.83 MAPT (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21858109 0.82 KDM4E (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL19949686 0.82 KDM4E (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL29392989 0.80 MAPT (1.00) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL105428 0.80 MAPT (1.00) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL29426418 0.80 MAPT (1.00) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL20530157 0.80 MAPT (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL18319517 0.79 MEN1 (0.58) MEN1KMT2AKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951184-B2 Methods of preparing polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US claimed
US-9522977-B2 Thermoplastic toughening of PHT's INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-12-20 US claimed
US-9296862-B2 Preparation of poly(octatriazacane) INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-03-29 US claimed
US-20160083520-A1 METHODS OF PREPARING POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-03-24 US claimed
US-20160024254-A1 THERMOPLASTIC TOUGHENING OF PHT'S INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-01-28 US claimed
US-9243107-B2 Methods of preparing polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-01-26 US claimed
WO-2015195686-A1 PREPARATION OF POLY(OCTATRIAZACANE) INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-23 WO claimed
US-20150361220-A1 PREPARATION OF POLY(OCTATRIAZACANE) INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-17 US claimed
US-20150104579-A1 METHODS OF PREPARING POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-04-16 US claimed