SCHEMBL21760728

SCHEMBL21760728

O=C(O)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX5 P09917 4/20 0.41
▸ PTGES O14684 3/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ MAP2K4 P45985 1/20 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
SCHEMBL21765825 0.99 TSHR (0.45) TSHRALDH1A1HPGDSMN1; SMN2DHODH
SCHEMBL21765742 0.94 TSHR (0.48) TSHRDHODHPOLBSIGMAR1NR4A1
SCHEMBL21760724 0.91 KMO (0.43) ALDH1A1HPGDSMN1; SMN2ALOX5PTGES
SCHEMBL21760725 0.91 KMO (0.43) ALDH1A1HPGDSMN1; SMN2ALOX5PTGES
SCHEMBL13020814 0.88 SIGMAR1 (0.45) TSHRALDH1A1HPGDSMN1; SMN2SIGMAR1
SCHEMBL13854517 0.88 SIGMAR1 (0.45) TSHRALDH1A1HPGDSMN1; SMN2SIGMAR1
SCHEMBL13020804 0.88 SIGMAR1 (0.45) TSHRALDH1A1HPGDSMN1; SMN2SIGMAR1
SCHEMBL13854460 0.88 SIGMAR1 (0.45) TSHRALDH1A1HPGDSMN1; SMN2SIGMAR1
SCHEMBL10030006 0.88 SIGMAR1 (0.45) TSHRALDH1A1HPGDSMN1; SMN2SIGMAR1
SCHEMBL14111980 0.88 SIGMAR1 (0.45) TSHRALDH1A1HPGDSMN1; SMN2SIGMAR1

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
Send feedback