SCHEMBL11216409

SCHEMBL11216409

C/C(=C\CCC#N)CCCCC#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 6/20 0.41
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
UGT1A1 P22309 1/20 0.33
PTPN1 P18031 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL11216412 1.00 SQLE (0.41) SQLEKMT2ATSHRKDM1AALDH1A1
SCHEMBL60572 0.94 SQLE (0.39) SQLEKMT2ATSHRKDM1AALDH1A1
SCHEMBL60573 0.94 SQLE (0.39) SQLEKMT2ATSHRKDM1AALDH1A1
SCHEMBL59711 0.90 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL8442430 0.90 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL60784 0.90 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL59710 0.90 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL60785 0.90 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL8442433 0.90 SQLE (0.40) SQLEKMT2ATSHRKDM1A
SCHEMBL6708870 0.86 TSHR (0.41) SQLEKMT2ATSHRMAPTMEN1

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-4320091-A SEPARATION OF DILVENT FROM FIRST STAGE-PRODUCT SATURATED DINITRIES; BY-PRODUCT INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1982-03-16 US disclosed
US-4263228-A Two stage catalytic hydrogenation of olefinically unsaturated dinitriles PHILLIPS PETROLEUM COMPANY (US) 1981-04-21 US disclosed
US-4216169-A WITH PALLADIUM AND COBALT CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1980-08-05 US disclosed