SCHEMBL18868634

SCHEMBL18868634

C=c1ccccc(=C)nccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 6/20 0.38
LMNA P02545 4/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TDP1 Q9NUW8 4/20 0.35
TP53 P04637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALOX15 P16050 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL19413554 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ELMNACCR1CCR5
SCHEMBL24702543 0.83 KDM4E (0.38) ALDH1A1KDM4ELMNACCR1CCR5
SCHEMBL21440403 0.72 ALOX12 (0.39) ALDH1A1KDM4ELMNAHIF1APOLB
SCHEMBL19413665 0.70
SCHEMBL24702544 0.69 EGFR (0.40) KDM4ECYP1A2CYP3A4ATMCYP2D6
SCHEMBL19466036 0.68 LMNA (0.56) ALDH1A1KDM4ELMNACCR1CCR5
SCHEMBL23011617 0.67 KDM4E (0.41) ALDH1A1KDM4ELMNACCR1CCR5
SCHEMBL22326657 0.67 MMP2 (0.47) ALDH1A1KDM4ELMNAHIF1AMETAP1
SCHEMBL21846145 0.67 KDM4E (0.30) KDM4ELMNACCR1CCR5CCR8
SCHEMBL20273121 0.64 GABRA1 (0.34) LMNAHIF1ACYP1A2BLMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190288220-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 US disclosed
EP-2428504-B1 Small molecule inhibitors of the pleckstrin homology domain and method for using same UNIV TEXAS (US) 2017-05-17 EP disclosed