SCHEMBL11214908

SCHEMBL11214908

CCCCCCCCCCC(N)CN.NCCCCCCCCCCCCN

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
EPHX1 P07099 1/20 0.59
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
SPHK1 Q9NYA1 1/20 0.48
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
OPRM1 P35372 1/20 0.46

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
Putrescine SCHEMBL11218553 1.00 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
Diaminooctane SCHEMBL28204043 1.00 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
Diaminooctane SCHEMBL11211910 1.00 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6014708 1.00 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11218551 1.00 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9985595 0.93 DNM1 (0.55) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19924531 0.93 DNM1 (0.55) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11055261 0.93 PLA2G1B (0.56) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL1022263 0.93 PLA2G1B (0.56) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21428081 0.93 PLA2G1B (0.56) DNM1MEN1KMT2AALDH1A1TSHR

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
EP-0043853-A4 INJECTION MOLDABLE AMIDE-IMIDE POLYMERS CONTAINING DIVALENT ALIPHATIC RADICALS DERIVED FROM ALIPHATIC DIAMINES. STANDARD OIL CO (US) 1982-05-28 EP disclosed
EP-0043853-A1 INJECTION MOLDABLE AMIDE-IMIDE POLYMERS CONTAINING DIVALENT ALIPHATIC RADICALS DERIVED FROM ALIPHATIC DIAMINES. STANDARD OIL CO (US) 1982-01-20 EP disclosed
WO-1981002015-A1 INJECTION MOLDABLE AMIDE-IMIDE POLYMERS CONTAINING DIVALENT ALIPHATIC RADICALS DERIVED FROM ALIPHATIC DIAMINES STANDARD OIL CO (US) 1981-07-23 WO disclosed