SCHEMBL21760466

SCHEMBL21760466

CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.47
RXRA P19793 7/20 0.44
RARB P10826 5/20 0.44
RARG P13631 5/20 0.44
RXRB P28702 5/20 0.42
RXRG P48443 5/20 0.42
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
CASP3 P42574 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL21765741 0.92 PDK2 (0.43) PDK2RXRARARBRARGRXRB
SCHEMBL15602708 0.90 PDK2 (0.44) PDK2RXRARARBRARGRXRB
SCHEMBL14681292 0.89 ALDH1A1 (0.42) PDK2MEN1KMT2ACYP3A4
SCHEMBL18650199 0.89 ALDH1A1 (0.42) PDK2MEN1KMT2ACYP3A4
SCHEMBL21760525 0.88 PDK2 (0.46) PDK2RXRARARBRARGRXRB
SCHEMBL22000743 0.86 ALDH1A1 (0.40) PDK2MEN1KMT2ACYP3A4
SCHEMBL22000330 0.86 ALDH1A1 (0.40) PDK2MEN1KMT2ACYP3A4
SCHEMBL23471607 0.85 PDK2 (0.35) PDK2KMT2ACYP3A4
SCHEMBL5531723 0.84 ALDH1A1 (0.39) PDK2RXRARARBRARGMEN1
SCHEMBL19726229 0.84 PDK2 (0.43) PDK2MEN1KMT2ACYP3A4

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
US-11637256-B2 Quantum dots with charge-transporting ligands NANOSYS, INC. (US) 2023-04-25 US disclosed
WO-2020040982-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 WO disclosed
US-20200067006-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 US disclosed