Hydroxyurea

Hydroxyurea

SCHEMBL9764818

NC(=O)NO.[K]CCc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

RRM1RRM2RRM2B

The experimentally established mechanism targets of Hydroxyurea. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR3 P46089 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 2/20 0.37
LIMK1 P53667 2/20 0.37
PTGS2 P35354 2/20 0.37
IKBKB O14920 1/20 0.37
OGG1 O15527 1/20 0.37
DHODH Q02127 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 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
SCHEMBL9764870 0.76 ALDH1A1 (0.38) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764833 0.76 ALOX5 (0.43) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19768715 0.76 GPR3 (0.56) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764874 0.75 MAPT (0.37) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
Hydroxyurea SCHEMBL10559837 0.75 MAPT (0.42) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10559630 0.74 ALOX5 (0.42) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11232390 0.72 AKR1B1 (0.53) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25721910 0.71 ALDH1A1 (0.50) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764912 0.71 ALOX5 (0.47) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19802864 0.71 ALDH1A1 (0.58) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed