SCHEMBL25159595

SCHEMBL25159595

C=CN1Cc2ccccc2CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.47
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SRD5A1 P18405 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
CDK4 P11802 1/20 0.37
ALOX15 P16050 1/20 0.37
CCND1 P24385 1/20 0.37
HTR2A P28223 1/20 0.37
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
Naphthalene SCHEMBL11707755 0.82 ADRA1D (0.35) HSD17B3MEN1KMT2AALDH1A1MAPT
SCHEMBL782147 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTGAA
Methane SCHEMBL11307340 0.78 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL9217182 0.77 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL20220872 0.73 KDM4E (0.39) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL22295672 0.71 HSD17B3 (0.53) HSD17B3MAOAMAOBSRD5A1MEN1
SCHEMBL6362724 0.70 KMT2A (0.33) HSD17B3SRD5A1MEN1KMT2AALDH1A1
SCHEMBL21153126 0.69 HSD17B3 (0.52) HSD17B3MAOAMAOBSRD5A1MEN1
SCHEMBL20750907 0.69 HSD17B3 (0.52) HSD17B3MAOAMAOBSRD5A1MEN1
SCHEMBL12013898 0.69 HSD17B3 (0.56) HSD17B3MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235985-A1 ZWITTERIONIC COMPOUNDS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2023-12-14 WO disclosed
WO-2023180484-A1 ANTIBODY-CONJUGATES FOR TARGETING OF TUMOURS EXPRESSING PTK7 SYNAFFIX B.V. (NL) 2023-09-28 WO disclosed
WO-2023063890-A2 A RECOMBINANT REFLECTIN NANOPARTICLE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-04-20 WO disclosed