SCHEMBL21940561

SCHEMBL21940561

CCn1c2ccccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c8ccccc8n(CC)c7c6)ccc5-4)c4ccsc4-c4sccc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIK2 Q13002 2/20 0.38
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
TSPO P30536 3/20 0.34
RAB9A P51151 3/20 0.34
HCRTR1 O43613 2/20 0.34
LMNA P02545 2/20 0.34
PAX8 Q06710 1/20 0.34
SMPD1 P17405 3/20 0.34

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
SCHEMBL21940559 0.94 MAPT (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21940557 0.93 DYRK1A (0.36) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21940562 0.91 KDM1A (0.36) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL21940560 0.91 GRIK2 (0.44) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21939617 0.91 METAP2 (0.34) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21940541 0.91 METAP2 (0.36) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL24022113 0.91 DYRK1A (0.34) GRIK2
SCHEMBL21940565 0.90 QPCT (0.32)
SCHEMBL21939887 0.90 HTR2C (0.31) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21939622 0.88 GRIK2 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD

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-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 US disclosed
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 US disclosed