SCHEMBL28634530

SCHEMBL28634530

C=CC1(C=C)C=CN=C(c2ccccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
LMNA P02545 3/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
TP53 P04637 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 2/20 0.34
HTT P42858 2/20 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
SCHEMBL10337913 0.85 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7123295 0.82 KDM4E (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29481393 0.81 KDM4E (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29481392 0.81 KDM4E (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27792042 0.81 KDM4E (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5798402 0.79 KDM4E (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28455799 0.78 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31482990 0.77 KDM4E (0.34) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29481395 0.77 KDM4E (0.32) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28603183 0.77 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8

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
CN-109453812-B Organic nitrogen-containing polymer carrier loaded Rh-based catalyst and preparation and application thereof 中国科学院大连化学物理研究所 2021-09-07 CN claimed
CN-109453812-B Organic nitrogen-containing polymer carrier loaded Rh-based catalyst and preparation and application thereof 中国科学院大连化学物理研究所 2021-09-07 CN disclosed
CN-109453812-A Organic nitrogen-containing polymer support loads Rh base catalyst and its preparation and application 中国科学院大连化学物理研究所 2019-03-12 CN disclosed