SCHEMBL21782724

SCHEMBL21782724

CCN1CCN(CCCSC)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SLC2A1 P11166 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL18704689 0.86 GNAI3 (0.41) KDM4ERAB9AGNAI3GNAO1GNAI1
SCHEMBL18520306 0.86 ALDH1A1 (0.37) KDM4EALDH1A1KDM1AMAPK1RAB9A
SCHEMBL9881134 0.84 PAOX (0.44) ALDH1A1KDM1ARAB9ASIGMAR1
SCHEMBL18520145 0.81 HRH3 (0.52) KDM4EALDH1A1MAPK1
SCHEMBL24132144 0.81
SCHEMBL6659406 0.80 KDM1A (0.48) KDM4EALDH1A1KDM1AMAPK1RAB9A
SCHEMBL6663102 0.80 GNAI3 (0.50) KDM4EALDH1A1KDM1AMAPK1RAB9A
SCHEMBL17209067 0.79 HRH3 (0.56) KDM4EALDH1A1MAPK1SIGMAR1
SCHEMBL6659172 0.78 GNAI3 (0.54) GNAI3GNAO1GNAI1
SCHEMBL25728743 0.77 PIK3CD (0.41) RAB9ASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
EP-3333232-B1 CHEMICAL MECHANICAL POLISHING COMPOSITION HAVING CHEMICAL ADDITIVES AND METHODS FOR USING VERSUM MAT US LLC (US) 2020-03-04 EP disclosed