SCHEMBL21939622

SCHEMBL21939622

CCn1c2ccccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccccc7n(CC)c6c5)ccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 2/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PER2 O15055 1/20 0.38
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38
RAB9A P51151 3/20 0.37
TSPO P30536 2/20 0.37
HCRTR1 O43613 2/20 0.37
LMNA P02545 2/20 0.37
PAX8 Q06710 1/20 0.37
SMPD1 P17405 4/20 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
SCHEMBL21940560 0.97 GRIK2 (0.44) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL24022286 0.94 MAPT (0.45) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL24022126 0.92 DYRK1A (0.36) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL21939869 0.92 DYRK1A (0.39) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL21939862 0.91 KDM4E (0.38) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL21940157 0.91 KDM4E (0.38) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL24022285 0.90 KDM1A (0.40) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL21940001 0.90 PDK2 (0.40) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL21939877 0.90 METAP2 (0.37) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL21940019 0.89 DYRK1A (0.44) GRIK2KDM4EMAPTALDH1A1SMN1; SMN2

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