SCHEMBL30301327

SCHEMBL30301327

O=C1CCc2cnc3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GPR3 P46089 1/20 0.46
MAPT P10636 3/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 2/20 0.38
PDPK1 O15530 1/20 0.38
CA12 O43570 1/20 0.38
PARP1 P09874 1/20 0.38
CA9 Q16790 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ERN1 O75460 1/20 0.38
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 2/20 0.35

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
SCHEMBL31672121 0.78 KDM4E (0.38) KDM4EGPR3MAPTCASP3SMN1; SMN2
SCHEMBL1920170 0.72 CA12 (0.42) KDM4EGPR3SMN1; SMN2ALOX15PDPK1
SCHEMBL30617063 0.72 DNMT1 (0.44) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL6759607 0.72 DNMT1 (0.44) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL16352244 0.70 MAOA (0.52) KDM4EGPR3MAPTSMN1; SMN2HSD17B10
SCHEMBL16836537 0.69 KDM4E (0.39) KDM4EGPR3MAPTCASP3SMN1; SMN2
SCHEMBL31475620 0.69 MAOA (0.46) KDM4EMAPTCASP3SMN1; SMN2ALOX15
SCHEMBL28922775 0.69 MAOA (0.46) KDM4EMAPTCASP3SMN1; SMN2ALOX15
SCHEMBL28480419 0.68 HPRT1 (0.50) HSD17B10HPGDALDH1A1TDP1USP2
SCHEMBL7818325 0.68 KDM4E (0.41) KDM4EGPR3MAPTSMN1; SMN2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230075190-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH HYPERPROLIFERATIVE CELLULAR DIVISION, DIABETES, IMMUNODEFICIENCY DISEASES, ALZHEIMER'S DISEASE OR AUTOIMMUNE DISEASES, AND TESTING SYSTEM AND METHOD CHAI FOUNDATION FOR MEDICAL RES & LIFE EXTENSION INC (US) 2023-03-09 US claimed
US-20240052418-A1 METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 US disclosed
US-11814681-B2 Method for predicting a subjects response to SLC modulator therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-14 US disclosed
US-20230075190-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH HYPERPROLIFERATIVE CELLULAR DIVISION, DIABETES, IMMUNODEFICIENCY DISEASES, ALZHEIMER'S DISEASE OR AUTOIMMUNE DISEASES, AND TESTING SYSTEM AND METHOD CHAI FOUNDATION FOR MEDICAL RES & LIFE EXTENSION INC (US) 2023-03-09 US disclosed