SCHEMBL27369729

SCHEMBL27369729

[CH2]C(NC=O)(OCc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 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
SCHEMBL4114605 0.75 ALDH1A1 (0.38) ADH1BADH1CADH1AADH7MEN1
SCHEMBL27438117 0.74 NPC1 (0.36) ADH1BADH1CADH1AADH7MEN1
SCHEMBL7821065 0.73 CYP2C19 (0.42) KMT2AALDH1A1PTPN1
SCHEMBL7267885 0.71 CYP3A4 (0.54) ADH1BADH1CADH1AADH7MEN1
SCHEMBL3410274 0.69 TSHR (0.48) TAAR1ALDH1A1TSHRCYP1A2
SCHEMBL11636438 0.69 TSHR (0.48) TAAR1ALDH1A1TSHRCYP1A2
SCHEMBL18626200 0.69 ADH1B (0.47) ADH1BADH1CADH1AADH7MEN1
SCHEMBL1357621 0.68 TSHR (0.43) TAAR1ALDH1A1TSHRPTPN1
SCHEMBL9025685 0.68 TSHR (0.43) KMT2ATAAR1ALDH1A1TSHRPTPN1
SCHEMBL27501657 0.68 CYP2C19 (0.45) KMT2AALDH1A1TSHRPTPN1CYP1A2

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
CN-1054598-C Pharmacologically active hydrazine derivatives and processes for preparation thereof NORVATIS CO (CH) 2000-07-19 CN disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed