SCHEMBL30475729

SCHEMBL30475729

C=C(C(N)=O)c1ccncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
SIRT3 Q9NTG7 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
CDC7 O00311 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PIM1 P11309 1/20 0.36
BAD Q92934 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL2618803 0.81 TDP1 (0.55) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL30298673 0.81 TDP1 (0.55) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL25201864 0.77 KDM4C (0.42) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL17425264 0.75 LOXL2 (0.41) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL82604 0.75 KDM4C (0.59) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL29578794 0.75 KDM4C (0.59) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1027857 0.73 KDM4C (0.57) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL724581 0.73 ALDH1A1 (0.52) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL19273667 0.73 LOXL2 (0.39) KDM4CKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL459712 0.73 LOXL2 (0.44) KDM4CKDM4ETDP1ALDH1A1L3MBTL1

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-110183422-B Nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-07-14 CN disclosed
CN-110386919-B Nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-07-14 CN disclosed