SCHEMBL22258552

SCHEMBL22258552

C=C(Nc1cccnc1)c1n[nH]cc1NCc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL22258549 0.94 LTA4H (0.47) LTA4HSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL22258560 0.86 RAB9A (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2D6
SCHEMBL22235674 0.86 KDR (0.51) LTA4HSMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL22258490 0.86 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2KDRCYP2C19
SCHEMBL22258496 0.84 CYP11B1 (0.36) ALDH1A1SMN1; SMN2MAPTCYP1A2NPSR1
SCHEMBL22258534 0.81 LMNA (0.40) ALDH1A1MAPTKDM4E
SCHEMBL22258448 0.81 LMNA (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL22236099 0.80 NAMPT (0.53) LTA4HMAPTNPSR1KDM4EMEN1
SCHEMBL22258542 0.78 NPC1 (0.42) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22258818 0.77 HTT (0.43) MAPTNPSR1KDM4EMEN1KMT2A

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
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
Send feedback