SCHEMBL23308281

SCHEMBL23308281

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5N(c5ccccc5)c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.35
ATM Q13315 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ACP1 P24666 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 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
SCHEMBL23308259 0.99 PDE5A (0.35) PDE5AATMMEN1KMT2AKDM1A
SCHEMBL23308230 0.95 PDE5A (0.33) PDE5AATMMEN1KMT2AKDM4E
SCHEMBL23308310 0.94 ABCG2 (0.32) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL23308307 0.94 TSPO (0.38) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL23308318 0.94 METAP2 (0.33) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL23308280 0.93 ABCG2 (0.33) PDE5AATMMEN1KMT2AKDM1A
SCHEMBL23308216 0.93 PDE5A (0.33) PDE5AATMMEN1KMT2AKDM1A
SCHEMBL23308249 0.92 ABCG2 (0.32) PDE5AMEN1KMT2AKDM1AKDM4E
SCHEMBL23308342 0.92 KDM1A (0.33) PDE5AATMMEN1KMT2AKDM1A
SCHEMBL23308301 0.92 DUSP3 (0.34) PDE5AATMMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210126204-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-04-29 US disclosed