SCHEMBL11245928

SCHEMBL11245928

O=C(Cl)COc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
PSMB5 P28074 1/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 3/20 0.39
P4HTM Q9NXG6 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
GRM4 Q14833 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38

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
Hydrochloric Acid SCHEMBL11258002 0.98 TSHR (0.50) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL3891985 0.84 TSHR (0.54) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL176214 0.82 ALOX15 (0.55) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL30746861 0.82 ALOX15 (0.55) TSHRNPC1SMN1; SMN2RAB9APSMB5
Hydrochloric Acid SCHEMBL1280719 0.81 ALOX15 (0.53) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL7969480 0.81 TSHR (0.55) TSHRNPC1SMN1; SMN2RAB9APSMB5
Hydrochloric Acid SCHEMBL31124708 0.81 ALOX15 (0.53) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL1178753 0.81 TSHR (0.51) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL7583697 0.78 TSHR (0.56) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL21325450 0.77 TSHR (0.51) TSHRNPC1SMN1; SMN2RAB9APSMB5

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-4324892-A 7-(N-Substituted-2-phenylglycinamido)-3-substituted-3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-13 US disclosed
US-4172198-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-10-23 US disclosed