SCHEMBL8439249

SCHEMBL8439249

CSc1nc2ccccc2n1-c1nccc(OCCN(C)Cc2ccc(Cl)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ PTGS2 P35354 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ GALR3 O60755 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TBXA2R P21731 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 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
SCHEMBL8440546 0.93 NPSR1 (0.38) KDM4EPTGS2HTR1DHTR1BKMT2A
SCHEMBL8443544 0.91 HTR1D (0.36) KDM4ETSHRPTGS2HTR1DHTR1B
SCHEMBL8441755 0.82 MEN1 (0.39) DRD2PTGS2KMT2AMEN1MAPT
SCHEMBL8439251 0.80 KDM4E (0.39) KDM4ETSHRDRD2HTR1DHTR1B
SCHEMBL8672721 0.79 PTGS2 (0.40) TSHRPTGS2SMN1; SMN2KMT2AMEN1
SCHEMBL8551375 0.77 KDM4E (0.39) KDM4ETSHRPTGS2SMN1; SMN2GAA
SCHEMBL8440207 0.77 NPSR1 (0.36) KDM4ETSHRHTR1DHTR1BRAB9A
SCHEMBL8440210 0.77 LMNA (0.39) KDM4ETSHRHTR1DHTR1BKMT2A
SCHEMBL8442772 0.77 HTR1D (0.41) KDM4ETSHRHTR1DHTR1BSMN1; SMN2
SCHEMBL8443349 0.77 CYP1A2 (0.44) KDM4ETSHRHTR1DHTR1BSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916904-A ANTIULCER EISAI CO., LTD. (JP) 1999-06-29 — — US disclosed
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