SCHEMBL23708532

SCHEMBL23708532

COc1cc(-c2ccccc2Cl)ccc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ ALDH1A3 P47895 1/20 0.49
▸ DHODH Q02127 1/20 0.46
▸ FFAR2 O15552 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ERN1 O75460 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HRH2 P25021 1/20 0.43

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
SCHEMBL23708324 0.81 ALDH1A1 (0.57) ALDH1A1ALDH1A3SMN1; SMN2MAPK1TSHR
SCHEMBL23708525 0.78 NR1I2 (0.43) ALDH1A1ALDH1A3SMN1; SMN2MAPK1TSHR
SCHEMBL28212779 0.77 MEN1 (0.64) ALDH1A1DHODHSMN1; SMN2TSHRKDM4E
SCHEMBL7054984 0.75 HTR7 (0.68) HTR7ALDH1A1LMNAMAPTUSP2
SCHEMBL27902948 0.73 ALDH1A1 (0.61) ALDH1A1DHODHSMN1; SMN2TSHRHSD17B10
SCHEMBL27625890 0.73 ERN1 (0.57) ALDH1A1DHODHSMN1; SMN2TSHRERN1
SCHEMBL23708632 0.73 ALDH1A1 (0.62) ALDH1A1ALDH1A3SMN1; SMN2MAPK1KDM4E
SCHEMBL15938805 0.72 HTR7 (0.83) HTR7MAPK1KDM4EMAPTDRD2
SCHEMBL3165674 0.71 DRD2 (0.72) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL8342531 0.71 ALDH1A1 (0.61) ALDH1A1ALDH1A3SMN1; SMN2TSHRLMNA

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-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 — — WO disclosed
Send feedback