SCHEMBL21939616

SCHEMBL21939616

CCn1c2ccc(Oc3ccccc3)cc2c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccc7c(c6)c6cc(Oc8ccccc8)ccc6n7CC)ccc5-4)c4ccsc4-c4sccc43)ccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
PTGER4 P35408 1/20 0.31
NPY5R Q15761 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL21939618 0.96 GRIK2 (0.36) GRIK2PTGER4KDM4EMAPTHPGD
SCHEMBL21939619 0.91 METAP2 (0.35) ACSS2MAOAMAOB
SCHEMBL24022271 0.89 PDK2 (0.37) GRIK2ACSS2PTGER4NPY5RKDM4E
SCHEMBL21940558 0.87 PTGER4 (0.42) GRIK2PTGER4KDM4EMAPTHPGD
SCHEMBL21984615 0.87 MEN1 (0.32) NPY5RKDM4EMAPTHPGD
SCHEMBL21939617 0.87 METAP2 (0.34) GRIK2ACSS2KDM4EMAPTHPGD
SCHEMBL21940162 0.86 GRIK2 (0.32) GRIK2ACSS2PTGER4NPY5RKDM4E
SCHEMBL21940559 0.86 MAPT (0.41) GRIK2PTGER4KDM4EMAPTHPGD
SCHEMBL24022281 0.86 TSPO (0.36) PTGER4NPY5RKDM4EMAPTHPGD
SCHEMBL24022280 0.85 KDM4E (0.31) KDM4EMAPTHPGD

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