SCHEMBL28448580

SCHEMBL28448580

C=Cc1c(-c2ccccn2)ccc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 6/20 0.38
LMNA P02545 5/20 0.38
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 4/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 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
TP53 P04637 4/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL29738324 1.00 KDM4E (0.38) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL6679713 0.82 CCR1 (0.46) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL28817754 0.78 MEN1 (0.40) KDM4ESMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL28681737 0.78 KDM4E (0.47) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL31261515 0.77 KDM4E (0.50) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL1817511 0.77 KDM4E (0.50) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL5366233 0.76 KDM4E (0.46) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL27845489 0.76 HTR2C (0.47) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
Hydrochloric Acid SCHEMBL28716572 0.76 KDM4E (0.48) KDM4ESMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL28056244 0.74 TGFBR1 (0.42) KDM4ESMN1; SMN2NPC1LMNAALDH1A1

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
CN-111628087-A Flexible solar cell capable of performing mechanoluminescence and preparation method thereof 西南石油大学 2020-09-04 CN claimed
CN-111628087-A Flexible solar cell capable of performing mechanoluminescence and preparation method thereof 西南石油大学 2020-09-04 CN disclosed