SCHEMBL21939980

SCHEMBL21939980

CCn1c2cc(SC)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(SC)cc7n(CC)c6c5)ccc3-4)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.34
TP53 P04637 2/20 0.34
GRIK2 Q13002 4/20 0.34
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
QPCT Q16769 1/20 0.33
DYRK1A Q13627 1/20 0.33
POLB P06746 1/20 0.33
GRIK1 P39086 2/20 0.33
SMPD1 P17405 1/20 0.31
PDE5A O76074 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL21939976 0.91 GRIK2 (0.38) GRIK2KDM4ENPSR1MAPTSMN1; SMN2
SCHEMBL24022101 0.88 HTR2C (0.35) METAP2GRIK2KDM4ENPSR1MAPT
SCHEMBL21939868 0.88 KDM1A (0.33) METAP2KDM4EMAPTALDH1A1HPGD
SCHEMBL21940016 0.86 DYRK1A (0.36) METAP2TP53GRIK2KDM4ENPSR1
SCHEMBL21940167 0.86 DYRK1A (0.34) METAP2TP53GRIK2KDM4ENPSR1
SCHEMBL21939989 0.86 HTR2C (0.34) METAP2GRIK2KDM4ENPSR1MAPT
SCHEMBL21940560 0.86 GRIK2 (0.44) GRIK2KDM4ENPSR1MAPTSMN1; SMN2
SCHEMBL21940565 0.85 QPCT (0.32) METAP2TP53QPCTDYRK1A
SCHEMBL21939977 0.85 PDK2 (0.33) METAP2
SCHEMBL21940019 0.84 DYRK1A (0.44) METAP2GRIK2KDM4ENPSR1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 US disclosed